CAS RN: 6358-07-2
CAS Name: 2-amino-4-chloro-5-nitrophenol
OPENEYE Name: 2-amino-4-chloro-5-nitro-phenol
IUPAC Name: 2-amino-4-chloro-5-nitrophenol
SYSTEMATIC NAME: 2-azanyl-4-chloranyl-5-nitro-phenol
MOLECULAR FORMULA: C6H5ClN2O3
MOLECULAR WEIGHT: 188.5685
SMILES: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])O)N
Structure:
CAS RN: 33254-46-5
CAS Name: 9-(3-phenylpropyl)-3H-purine-6-thione
OPENEYE Name: 9-(3-phenylpropyl)-3H-purine-6-thione
IUPAC Name: 9-(3-phenylpropyl)-3H-purine-6-thione
SYSTEMATIC NAME: 9-(3-phenylpropyl)-3H-purine-6-thione
MOLECULAR FORMULA: C14H14N4S
MOLECULAR WEIGHT: 270.35276
SMILES: C1=CC=C(C=C1)CCCN2C=NC3=C2NC=NC3=S
Structure:
CAS RN: 26690-05-1
CAS Name: 2-amino-7-chloro-3-nitro-9-fluorenone
OPENEYE Name: 2-amino-7-chloro-3-nitro-fluoren-9-one
IUPAC Name: 2-amino-7-chloro-3-nitrofluoren-9-one
SYSTEMATIC NAME: 2-azanyl-7-chloranyl-3-nitro-fluoren-9-one
MOLECULAR FORMULA: C13H7ClN2O3
MOLECULAR WEIGHT: 274.65928
SMILES: C1=CC2=C(C=C1Cl)C(=O)C3=CC(=C(C=C23)[N+](=O)[O-])N
Structure:
CAS RN: 32093-88-2
CAS Name: 1-methyl-3-(2-oxazolyl)thiourea
OPENEYE Name: 1-methyl-3-oxazol-2-yl-thiourea
IUPAC Name: 1-methyl-3-(1,3-oxazol-2-yl)thiourea
SYSTEMATIC NAME: 1-methyl-3-(1,3-oxazol-2-yl)thiourea
MOLECULAR FORMULA: C5H7N3OS
MOLECULAR WEIGHT: 157.19358
SMILES: CNC(=S)NC1=NC=CO1
Structure:
CAS RN: 61720-84-1
CAS Name: 1-(4-chlorophenyl)sulfonyl-3-[sulfanylidene(thiophen-2-yl)methyl]urea
OPENEYE Name: 1-(4-chlorophenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea
IUPAC Name: 1-(4-chlorophenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-3-thiophen-2-ylcarbothioyl-urea
MOLECULAR FORMULA: C12H9ClN2O3S3
MOLECULAR WEIGHT: 360.85946
SMILES: C1=CSC(=C1)C(=S)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 64510-91-4
CAS Name: 4-[(phenylmethyl)iminomethyl]benzenecarbothioamide
OPENEYE Name: 4-(benzyliminomethyl)benzenecarbothioamide
IUPAC Name: 4-(benzyliminomethyl)benzenecarbothioamide
SYSTEMATIC NAME: 4-[(phenylmethyl)iminomethyl]benzenecarbothioamide
MOLECULAR FORMULA: C15H14N2S
MOLECULAR WEIGHT: 254.35006
SMILES: C1=CC=C(C=C1)CN=CC2=CC=C(C=C2)C(=S)N
Structure:
CAS RN: 79522-79-5
CAS Name: 2-[5-(azidomethyl)-1-triazolyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[5-(azidomethyl)triazol-1-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[5-(azidomethyl)triazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-[5-(azidomethyl)-1,2,3-triazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C8H12N6O4
MOLECULAR WEIGHT: 256.21868
SMILES: C1=C(N(N=N1)C2C(C(C(O2)CO)O)O)CN=[N+]=[N-]
Structure:
CAS RN: 76289-18-4
CAS Name: 1-[1,2-bis(4-methoxyphenyl)butyl]-3-(3-methylphenyl)thiourea
OPENEYE Name: 1-[1,2-bis(4-methoxyphenyl)butyl]-3-(m-tolyl)thiourea
IUPAC Name: 1-[1,2-bis(4-methoxyphenyl)butyl]-3-(3-methylphenyl)thiourea
SYSTEMATIC NAME: 1-[1,2-bis(4-methoxyphenyl)butyl]-3-(3-methylphenyl)thiourea
MOLECULAR FORMULA: C26H30N2O2S
MOLECULAR WEIGHT: 434.5936
SMILES: CCC(C1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)OC)NC(=S)NC3=CC=CC(=C3)C
Structure:
CAS RN: 6307-60-4
CAS Name: 2,4-bis(sulfanylidene)-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 2,4-dithioxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 2,4-bis(sulfanylidene)-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 2,4-bis(sulfanylidene)-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C5H4N2O2S2
MOLECULAR WEIGHT: 188.22746
SMILES: C1=C(NC(=S)NC1=S)C(=O)O
Structure:
CAS RN: 57165-46-5
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[sulfanylidene-[[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]methyl]amino]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamothioylamino]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamothioylamino]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamothioylamino]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C35H42N2O13S2
MOLECULAR WEIGHT: 762.84358
SMILES: CC(=O)OCC1C(C(C(C(O1)NC(=S)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 87928-47-0
CAS Name: 4-carbamothioyliminopentan-2-ylidenethiourea
OPENEYE Name: (3-carbamothioylimino-1-methyl-butylidene)thiourea
IUPAC Name: 4-carbamothioyliminopentan-2-ylidenethiourea
SYSTEMATIC NAME: 1-(4-carbamothioyliminopentan-2-ylidene)thiourea
MOLECULAR FORMULA: C7H12N4S2
MOLECULAR WEIGHT: 216.32698
SMILES: CC(=NC(=S)N)CC(=NC(=S)N)C
Structure:
CAS RN: 148348-13-4
CAS Name: N-[1-(4,4-dimethyl-2-propan-2-yl-3-oxazolidinyl)-2-methylpropan-2-yl]-2-methyl-1-propanimine
OPENEYE Name: N-[2-(2-isopropyl-4,4-dimethyl-oxazolidin-3-yl)-1,1-dimethyl-ethyl]-2-methyl-propan-1-imine
IUPAC Name: N-[1-(4,4-dimethyl-2-propan-2-yl-1,3-oxazolidin-3-yl)-2-methylpropan-2-yl]-2-methylpropan-1-imine
SYSTEMATIC NAME: N-[1-(4,4-dimethyl-2-propan-2-yl-1,3-oxazolidin-3-yl)-2-methyl-propan-2-yl]-2-methyl-propan-1-imine
MOLECULAR FORMULA: C16H32N2O
MOLECULAR WEIGHT: 268.43808
SMILES: CC(C)C=NC(C)(C)CN1C(OCC1(C)C)C(C)C
Structure:
CAS RN: 170906-32-8
CAS Name: N-[1-(4,4-dimethyl-2-propan-2-yl-3-oxazolidinyl)-2-methylpropan-2-yl]-2-methyl-1-propanimine
OPENEYE Name: N-[2-(2-isopropyl-4,4-dimethyl-oxazolidin-3-yl)-1,1-dimethyl-ethyl]-2-methyl-propan-1-imine
IUPAC Name: N-[1-(4,4-dimethyl-2-propan-2-yl-1,3-oxazolidin-3-yl)-2-methylpropan-2-yl]-2-methylpropan-1-imine
SYSTEMATIC NAME: N-[1-(4,4-dimethyl-2-propan-2-yl-1,3-oxazolidin-3-yl)-2-methyl-propan-2-yl]-2-methyl-propan-1-imine
MOLECULAR FORMULA: C16H32N2O
MOLECULAR WEIGHT: 268.43808
SMILES: CC(C)C=NC(C)(C)CN1C(OCC1(C)C)C(C)C
Structure:
CAS RN: 27828-55-3
CAS Name: 3-[[[4-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-1-phthalazinyl]hydrazinylidene]methyl]-4-nitrophenol
OPENEYE Name: 3-[[[4-[2-[(5-hydroxy-2-nitro-phenyl)methylene]hydrazino]phthalazin-1-yl]hydrazono]methyl]-4-nitro-phenol
IUPAC Name: 3-[[[4-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]-4-nitrophenol
SYSTEMATIC NAME: 4-nitro-3-[[[4-[2-[(2-nitro-5-oxidanyl-phenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
MOLECULAR FORMULA: C22H16N8O6
MOLECULAR WEIGHT: 488.41244
SMILES: C1=CC=C2C(=C1)C(=NN=C2NN=CC3=C(C=CC(=C3)O)[N+](=O)[O-])NN=CC4=C(C=CC(=C4)O)[N+](=O)[O-]
Structure:
CAS RN: 4835-85-2
CAS Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
OPENEYE Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxy-methylene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
IUPAC Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-oxidanyl-methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C27H21FN2O5S
MOLECULAR WEIGHT: 504.529443
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC=CC=C5OC
Structure:
CAS RN: 32403-33-1
CAS Name: 1-(1-adamantyl)-3-[(2-ethoxyphenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(2-ethoxyphenyl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(2-ethoxyphenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(2-ethoxyphenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C20H27N3OS
MOLECULAR WEIGHT: 357.51288
SMILES: CCOC1=CC=CC=C1C=NNC(=S)NC23CC4CC(C2)CC(C4)C3
Structure:
CAS RN: 14246-99-2
CAS Name: 3-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4-thione
OPENEYE Name: 3-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4-thione
IUPAC Name: 3-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4-thione
SYSTEMATIC NAME: 3-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4-thione
MOLECULAR FORMULA: C12H10N4S
MOLECULAR WEIGHT: 242.2996
SMILES: CC1=C2C(=NC=NC2=S)N(N1)C3=CC=CC=C3
Structure:
CAS RN: 91843-84-4
CAS Name: 1-anilino-3-[[(5-nitro-2-furanyl)-oxomethyl]amino]urea
OPENEYE Name: 1-anilino-3-[(5-nitrofuran-2-carbonyl)amino]urea
IUPAC Name: 1-anilino-3-[(5-nitrofuran-2-carbonyl)amino]urea
SYSTEMATIC NAME: 1-[(5-nitrofuran-2-yl)carbonylamino]-3-phenylazanyl-urea
MOLECULAR FORMULA: C12H11N5O5
MOLECULAR WEIGHT: 305.24624
SMILES: C1=CC=C(C=C1)NNC(=O)NNC(=O)C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 1177-16-8
CAS Name: N-[2-[(2,4-dinitrophenyl)hydrazinylidene]ethylideneamino]-2,4-dinitroaniline
OPENEYE Name: N-[2-[(2,4-dinitrophenyl)hydrazono]ethylideneamino]-2,4-dinitro-aniline
IUPAC Name: N-[2-[(2,4-dinitrophenyl)hydrazinylidene]ethylideneamino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[2-[(2,4-dinitrophenyl)hydrazinylidene]ethylideneamino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C14H10N8O8
MOLECULAR WEIGHT: 418.278
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=CC=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 2993-06-8
CAS Name: 2-(trifluoromethyl)-7H-purin-6-amine
OPENEYE Name: 2-(trifluoromethyl)-7H-purin-6-amine
IUPAC Name: 2-(trifluoromethyl)-7H-purin-6-amine
SYSTEMATIC NAME: 2-(trifluoromethyl)-7H-purin-6-amine
MOLECULAR FORMULA: C6H4F3N5
MOLECULAR WEIGHT: 203.12467
SMILES: C1=NC2=C(N1)C(=NC(=N2)C(F)(F)F)N
Structure:
CAS RN: 21184-93-0
CAS Name: 2-[[(tert-butylamino)-sulfanylidenemethyl]thio]acetic acid
OPENEYE Name: 2-(tert-butylcarbamothioylsulfanyl)acetic acid
IUPAC Name: 2-(tert-butylcarbamothioylsulfanyl)acetic acid
SYSTEMATIC NAME: 2-(tert-butylcarbamothioylsulfanyl)ethanoic acid
MOLECULAR FORMULA: C7H13NO2S2
MOLECULAR WEIGHT: 207.31362
SMILES: CC(C)(C)NC(=S)SCC(=O)O
Structure:
CAS RN: 18667-55-5
CAS Name: 1-butan-2-yl-3-[2-[[(butan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]ethylideneamino]thiourea
OPENEYE Name: 1-sec-butyl-3-[2-(sec-butylcarbamothioylhydrazono)ethylideneamino]thiourea
IUPAC Name: 1-butan-2-yl-3-[2-(butan-2-ylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
SYSTEMATIC NAME: 1-butan-2-yl-3-[2-(butan-2-ylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
MOLECULAR FORMULA: C12H24N6S2
MOLECULAR WEIGHT: 316.48916
SMILES: CCC(C)NC(=S)NN=CC=NNC(=S)NC(C)CC
Structure:
CAS RN: 21802-80-2
CAS Name: N-(1-cyclohexa-1,4-dienylmethyl)-7H-purin-6-amine
OPENEYE Name: N-(cyclohexa-1,4-dien-1-ylmethyl)-7H-purin-6-amine
IUPAC Name: N-(cyclohexa-1,4-dien-1-ylmethyl)-7H-purin-6-amine
SYSTEMATIC NAME: N-(cyclohexa-1,4-dien-1-ylmethyl)-7H-purin-6-amine
MOLECULAR FORMULA: C12H13N5
MOLECULAR WEIGHT: 227.26512
SMILES: C1C=CCC(=C1)CNC2=NC=NC3=C2NC=N3
Structure:
CAS RN: 36767-92-7
CAS Name: N-propan-2-ylcarbamic acid [3-[[methoxy(sulfanylidene)methyl]amino]phenyl] ester
OPENEYE Name: [3-(methoxycarbothioylamino)phenyl] N-isopropylcarbamate
IUPAC Name: [3-(methoxycarbothioylamino)phenyl] N-propan-2-ylcarbamate
SYSTEMATIC NAME: [3-(methoxycarbothioylamino)phenyl] N-propan-2-ylcarbamate
MOLECULAR FORMULA: C12H16N2O3S
MOLECULAR WEIGHT: 268.33204
SMILES: CC(C)NC(=O)OC1=CC=CC(=C1)NC(=S)OC
Structure:
CAS RN: 380482-28-0
CAS Name: 2,5-dichloro-1-isothiocyanatopentane
OPENEYE Name: 2,5-dichloro-1-isothiocyanato-pentane
IUPAC Name: 2,5-dichloro-1-isothiocyanatopentane
SYSTEMATIC NAME: 2,5-bis(chloranyl)-1-isothiocyanato-pentane
MOLECULAR FORMULA: C6H9Cl2NS
MOLECULAR WEIGHT: 198.11336
SMILES: C(CC(CN=C=S)Cl)CCl
Structure:
CAS RN: 69243-67-0
CAS Name: N-(3-fluorophenyl)carbamodithioic acid (3,4-dichlorophenyl)methyl ester
OPENEYE Name: (3,4-dichlorophenyl)methyl N-(3-fluorophenyl)carbamodithioate
IUPAC Name: (3,4-dichlorophenyl)methyl N-(3-fluorophenyl)carbamodithioate
SYSTEMATIC NAME: (3,4-dichlorophenyl)methyl N-(3-fluorophenyl)carbamodithioate
MOLECULAR FORMULA: C14H10Cl2FNS2
MOLECULAR WEIGHT: 346.270303
SMILES: C1=CC(=CC(=C1)F)NC(=S)SCC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 32331-14-9
CAS Name: 6-[(4-methoxyphenyl)methylthio]-5-sulfanylidene-2H-1,2,4-triazin-3-one
OPENEYE Name: 6-[(4-methoxyphenyl)methylsulfanyl]-5-thioxo-2H-1,2,4-triazin-3-one
IUPAC Name: 6-[(4-methoxyphenyl)methylsulfanyl]-5-sulfanylidene-2H-1,2,4-triazin-3-one
SYSTEMATIC NAME: 6-[(4-methoxyphenyl)methylsulfanyl]-5-sulfanylidene-2H-1,2,4-triazin-3-one
MOLECULAR FORMULA: C11H11N3O2S2
MOLECULAR WEIGHT: 281.35394
SMILES: COC1=CC=C(C=C1)CSC2=NNC(=O)NC2=S
Structure:
CAS RN: 104864-59-7
CAS Name: 2-chloro-N-[2-[(4-chlorophenyl)thio]ethyl]acetamide
OPENEYE Name: 2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
IUPAC Name: 2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[2-(4-chlorophenyl)sulfanylethyl]ethanamide
MOLECULAR FORMULA: C10H11Cl2NOS
MOLECULAR WEIGHT: 264.17144
SMILES: C1=CC(=CC=C1SCCNC(=O)CCl)Cl
Structure:
CAS RN: 63549-81-5
CAS Name: 5-amino-6-methyl-1H-pyrimidine-4-thione
OPENEYE Name: 5-amino-6-methyl-1H-pyrimidine-4-thione
IUPAC Name: 5-amino-6-methyl-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 5-azanyl-6-methyl-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C5H7N3S
MOLECULAR WEIGHT: 141.19418
SMILES: CC1=C(C(=S)N=CN1)N
Structure:
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