Chembase list of 866358 unique molecular structures

4-isothiocyanato-N-(propan-2-yl)benzene-1-sulfonamide

$$$$ Data

M. F.

C10H12N2O2S2

Suppliers	Catalog Number
Matrix Scientific	030264

Database	Data ID
PubChem	25219001

M. W.

256.34448

CAS

Similarity

N/A

ID: 27702

1-(4-isothiocyanatobenzenesulfonyl)-2-methyl-1,2,3,4-tetrahydroquinoline

$$$$ Data

M. F.

C17H16N2O2S2

Suppliers	Catalog Number
Matrix Scientific	030265

Database	Data ID
PubChem	25219002

M. W.

344.45114

CAS

Similarity

N/A

ID: 27703

4-isothiocyanato-N,N-bis(propan-2-yl)benzene-1-sulfonamide

$$$$ Data

M. F.

C13H18N2O2S2

Suppliers	Catalog Number
Matrix Scientific	030266

Database	Data ID
PubChem	25219003

M. W.

298.42422

CAS

Similarity

N/A

ID: 27704

4-isothiocyanato-N-(2-methylpropyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C11H14N2O2S2

Suppliers	Catalog Number
Matrix Scientific	030267

Database	Data ID
PubChem	25219004

M. W.

270.37106

CAS

Similarity

N/A

ID: 27705

N-(4-ethoxyphenyl)-4-isothiocyanatobenzene-1-sulfonamide

$$$$ Data

M. F.

C15H14N2O3S2

Suppliers	Catalog Number
Matrix Scientific	030268

Database	Data ID
PubChem	25219005

M. W.

334.41326

CAS

Similarity

N/A

ID: 27706

4-isothiocyanato-N-(oxolan-2-ylmethyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C12H14N2O3S2

Suppliers	Catalog Number
Matrix Scientific	030269

Database	Data ID
PubChem	25219006

M. W.

298.38116

CAS

Similarity

N/A

ID: 27707

N-cyclohexyl-4-isothiocyanatobenzene-1-sulfonamide

$$$$ Data

M. F.

C13H16N2O2S2

Suppliers	Catalog Number
Matrix Scientific	030270

Database	Data ID
PubChem	25219007

M. W.

296.40834

CAS

Similarity

N/A

ID: 27708

2-ethyl-1-(4-isothiocyanatobenzenesulfonyl)piperidine

$$$$ Data

M. F.

C14H18N2O2S2

Suppliers	Catalog Number
Matrix Scientific	030271

Database	Data ID
PubChem	25219008

M. W.

310.43492

CAS

Similarity

N/A

ID: 27709

1-isothiocyanato-4-methoxy-2-nitrobenzene

$$$$ Data

M. F.

C8H6N2O3S

Suppliers	Catalog Number
Matrix Scientific	030273

Database	Data ID
PubChem	141006

M. W.

210.20984

CAS

23165-60-8

Similarity

N/A

ID: 27710

2-chloro-1-isothiocyanato-4-nitrobenzene

$$$$ Data

M. F.

C7H3ClN2O2S

Suppliers	Catalog Number
Matrix Scientific	030274

Database	Data ID
PubChem	2757736

M. W.

214.62892

CAS

23165-64-2

Similarity

N/A

ID: 27711

1-isothiocyanato-2-methyl-3-nitrobenzene

$$$$ Data

M. F.

C8H6N2O2S

Suppliers	Catalog Number
Matrix Scientific	030276

Database	Data ID
PubChem	18316513

M. W.

194.21044

CAS

Similarity

N/A

ID: 27712

dimethyl-4H-1,2,4-triazole-3-thiol

$$$$ Data More

M. F.

C4H7N3S

Suppliers	Catalog Number
ChemBridge	3015684
Matrix Scientific	030277
Apollo Scientific	OR59837

Database	Data ID
PubChem	2063529

M. W.

129.18348

CAS

38942-50-6

Similarity

N/A

ID: 27713

4-ethyl-5-methyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C5H9N3S

Suppliers	Catalog Number
ChemBridge	3015685
Matrix Scientific	030278
Enamine	EN300-64656

Database	Data ID
PubChem	3613806

M. W.

143.21006

CAS

6232-85-5

Similarity

N/A

ID: 27714

5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C6H9N3S

Suppliers	Catalog Number
Matrix Scientific	030279
Enamine	EN300-07513

Database	Data ID
PubChem	2412471

M. W.

155.22076

CAS

Similarity

N/A

ID: 27715

5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C6H11N3S

Suppliers	Catalog Number
ChemBridge	3015686
Matrix Scientific	030280
Enamine	EN300-120261

Database	Data ID
PubChem	3853248

M. W.

157.23664

CAS

121519-86-6

Similarity

N/A

ID: 27716

5-methyl-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C6H11N3S

Suppliers	Catalog Number
Matrix Scientific	030281

Database	Data ID
PubChem	17060530

M. W.

157.23664

CAS

Similarity

N/A

ID: 27717

5-ethyl-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C9H15N3OS

Suppliers	Catalog Number
Matrix Scientific	030282

Database	Data ID
PubChem	17126595

M. W.

213.2999

CAS

Similarity

N/A

ID: 27718

5-ethyl-4-methyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C5H9N3S

Suppliers	Catalog Number
ChemBridge	3015689
Matrix Scientific	030283
Enamine	EN300-65461

Database	Data ID
PubChem	3829795

M. W.

143.21006

CAS

4418-57-9

Similarity

N/A

ID: 27719

diethyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C6H11N3S

Suppliers	Catalog Number
ChemBridge	3015690
Matrix Scientific	030284

Database	Data ID
PubChem	3829820

M. W.

157.23664

CAS

29448-78-0

Similarity

N/A

ID: 27720

5-ethyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C7H11N3S

Suppliers	Catalog Number
Matrix Scientific	030285

Database	Data ID
PubChem	17126465

M. W.

169.24734

CAS

Similarity

N/A

ID: 27721

5-ethyl-4-propyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C7H13N3S

Suppliers	Catalog Number
Matrix Scientific	030286

Database	Data ID
PubChem	25219009

M. W.

171.26322

CAS

Similarity

N/A

ID: 27722

5-ethyl-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C7H13N3S

Suppliers	Catalog Number
Matrix Scientific	030287

Database	Data ID
PubChem	25219010

M. W.

171.26322

CAS

Similarity

N/A

ID: 27723

4-(oxolan-2-ylmethyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C10H17N3OS

Suppliers	Catalog Number
Matrix Scientific	030288

Database	Data ID
PubChem	17285054

M. W.

227.32648

CAS

Similarity

N/A

ID: 27724

4-methyl-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C6H11N3S

Suppliers	Catalog Number
ChemBridge	3015695
Matrix Scientific	030289
Enamine	EN300-64730

Database	Data ID
PubChem	857163

M. W.

157.23664

CAS

588680-36-8

Similarity

N/A

ID: 27725

4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C7H13N3S

Suppliers	Catalog Number
ChemBridge	3015696
Matrix Scientific	030290

Database	Data ID
PubChem	857162

M. W.

171.26322

CAS

66921-11-7

Similarity

N/A

ID: 27726

4-(prop-2-en-1-yl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C8H13N3S

Suppliers	Catalog Number
ChemBridge	3015697
Matrix Scientific	030291

Database	Data ID
PubChem	3288154

M. W.

183.27392

CAS

590376-67-3

Similarity

N/A

ID: 27727

5-(propan-2-yl)-4-propyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C8H15N3S

Suppliers	Catalog Number
ChemBridge	3015698
Matrix Scientific	030292

Database	Data ID
PubChem	855142

M. W.

185.2898

CAS

603981-94-8

Similarity

N/A

ID: 27728

bis(propan-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C8H15N3S

Suppliers	Catalog Number
ChemBridge	3015699
Matrix Scientific	030293

Database	Data ID
PubChem	3726306

M. W.

185.2898

CAS

667437-59-4

Similarity

N/A

ID: 27729

5-(5-methylthiophen-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H15N3OS2

Suppliers	Catalog Number
Matrix Scientific	030294

Database	Data ID
PubChem	4377510

M. W.

281.397

CAS

Similarity

N/A

ID: 27730

4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C8H9N3S2

Suppliers	Catalog Number
ChemBridge	3015701
Matrix Scientific	030295

Database	Data ID
PubChem	3685050

M. W.

211.30716

CAS

588685-90-9

Similarity

N/A

ID: 27731

4-ethyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C9H11N3S2

Suppliers	Catalog Number
ChemBridge	3015702
Matrix Scientific	030296

Database	Data ID
PubChem	756691

M. W.

225.33374

CAS

438230-66-1

Similarity

N/A

ID: 27732

5-(5-methylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C10H11N3S2

Suppliers	Catalog Number
ChemBridge	3015703
Matrix Scientific	030297

Database	Data ID
PubChem	3300417

M. W.

237.34444

CAS

588680-35-7

Similarity

N/A

ID: 27733

5-(5-methylthiophen-3-yl)-4-propyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C10H13N3S2

Suppliers	Catalog Number
ChemBridge	3015704
Matrix Scientific	030298

Database	Data ID
PubChem	3757428

M. W.

239.36032

CAS

667436-25-1

Similarity

N/A

ID: 27734

5-(5-methylthiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C10H13N3S2

Suppliers	Catalog Number
Matrix Scientific	030299

Database	Data ID
PubChem	4635033

M. W.

239.36032

CAS

Similarity

N/A

ID: 27735

5-(5-ethylthiophen-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C13H17N3OS2

Suppliers	Catalog Number
Matrix Scientific	030300

Database	Data ID
PubChem	3497768

M. W.

295.42358

CAS

Similarity

N/A

ID: 27736

5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C9H11N3S2

Suppliers	Catalog Number
ChemBridge	3015707
Matrix Scientific	030301

Database	Data ID
PubChem	4598698

M. W.

225.33374

CAS

588674-76-4

Similarity

N/A

ID: 27737

4-ethyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C10H13N3S2

Suppliers	Catalog Number
ChemBridge	3015708
Matrix Scientific	030302

Database	Data ID
PubChem	756797

M. W.

239.36032

CAS

438230-04-7

Similarity

N/A

ID: 27738

5-(5-ethylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C11H13N3S2

Suppliers	Catalog Number
Matrix Scientific	030303

Database	Data ID
PubChem	843567

M. W.

251.37102

CAS

Similarity

N/A

ID: 27739

5-(5-ethylthiophen-3-yl)-4-propyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C11H15N3S2

Suppliers	Catalog Number
Matrix Scientific	030304

Database	Data ID
PubChem	17285055

M. W.

253.3869

CAS

Similarity

N/A

ID: 27740

5-(5-ethylthiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C11H15N3S2

Suppliers	Catalog Number
Matrix Scientific	030305

Database	Data ID
PubChem	25219011

M. W.

253.3869

CAS

Similarity

N/A

ID: 27741

4-methyl-5-(5-propylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C10H13N3S2

Suppliers	Catalog Number
ChemBridge	3015713
Matrix Scientific	030306

Database	Data ID
PubChem	5013939

M. W.

239.36032

CAS

588687-53-0

Similarity

N/A

ID: 27742

4-ethyl-5-(5-propylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C11H15N3S2

Suppliers	Catalog Number
Matrix Scientific	030307

Database	Data ID
PubChem	4047335

M. W.

253.3869

CAS

Similarity

N/A

ID: 27743

4-(prop-2-en-1-yl)-5-(5-propylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H15N3S2

Suppliers	Catalog Number
Matrix Scientific	030308

Database	Data ID
PubChem	5151346

M. W.

265.3976

CAS

Similarity

N/A

ID: 27744

4-propyl-5-(5-propylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H17N3S2

Suppliers	Catalog Number
Matrix Scientific	030309

Database	Data ID
PubChem	25219012

M. W.

267.41348

CAS

Similarity

N/A

ID: 27745

4-(propan-2-yl)-5-(5-propylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H17N3S2

Suppliers	Catalog Number
Matrix Scientific	030310

Database	Data ID
PubChem	25219013

M. W.

267.41348

CAS

Similarity

N/A

ID: 27746

4-methyl-5-[5-(propan-2-yl)thiophen-3-yl]-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C10H13N3S2

Suppliers	Catalog Number
ChemBridge	3015719
Matrix Scientific	030311

Database	Data ID
PubChem	5191231

M. W.

239.36032

CAS

588687-48-3

Similarity

N/A

ID: 27747

4-ethyl-5-[5-(propan-2-yl)thiophen-3-yl]-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C11H15N3S2

Suppliers	Catalog Number
Matrix Scientific	030312

Database	Data ID
PubChem	843022

M. W.

253.3869

CAS

Similarity

N/A

ID: 27748

4-(prop-2-en-1-yl)-5-[5-(propan-2-yl)thiophen-3-yl]-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H15N3S2

Suppliers	Catalog Number
Matrix Scientific	030313

Database	Data ID
PubChem	17087515

M. W.

265.3976

CAS

Similarity

N/A

ID: 27749

5-[5-(propan-2-yl)thiophen-3-yl]-4-propyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H17N3S2

Suppliers	Catalog Number
Matrix Scientific	030314

Database	Data ID
PubChem	25219014

M. W.

267.41348

CAS

Similarity

N/A

ID: 27750

4-(propan-2-yl)-5-[5-(propan-2-yl)thiophen-3-yl]-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H17N3S2

Suppliers	Catalog Number
Matrix Scientific	030315

Database	Data ID
PubChem	25219015

M. W.

267.41348

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified