CAS RN: 56542-72-4
CAS Name: 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioamide
OPENEYE Name: 3-(p-tolylsulfamoyl)benzenecarbothioamide
IUPAC Name: 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioamide
SYSTEMATIC NAME: 3-[(4-methylphenyl)sulfamoyl]benzenecarbothioamide
MOLECULAR FORMULA: C14H14N2O2S2
MOLECULAR WEIGHT: 306.40316
SMILES: CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=S)N
Structure:
CAS RN: 91789-69-4
CAS Name: N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)benzenesulfonamide
OPENEYE Name: N-(6-amino-4-oxo-2-thioxo-1H-pyrimidin-5-yl)benzenesulfonamide
IUPAC Name: N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)benzenesulfonamide
SYSTEMATIC NAME: N-(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)benzenesulfonamide
MOLECULAR FORMULA: C10H10N4O3S2
MOLECULAR WEIGHT: 298.3414
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=C(NC(=S)NC2=O)N
Structure:
CAS RN: 54708-14-4
CAS Name: 2-(2,6-dimethylphenyl)acetonitrile
OPENEYE Name: 2-(2,6-dimethylphenyl)acetonitrile
IUPAC Name: 2-(2,6-dimethylphenyl)acetonitrile
SYSTEMATIC NAME: 2-(2,6-dimethylphenyl)ethanenitrile
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CC1=C(C(=CC=C1)C)CC#N
Structure:
CAS RN: 885267-37-8
CAS Name: 5-bromo-N-(2,2-dimethoxyethyl)-2-pyrimidinamine
OPENEYE Name: 5-bromo-N-(2,2-dimethoxyethyl)pyrimidin-2-amine
IUPAC Name: 5-bromo-N-(2,2-dimethoxyethyl)pyrimidin-2-amine
SYSTEMATIC NAME: 5-bromanyl-N-(2,2-dimethoxyethyl)pyrimidin-2-amine
MOLECULAR FORMULA: C8H12BrN3O2
MOLECULAR WEIGHT: 262.10378
SMILES: COC(CNC1=NC=C(C=N1)Br)OC
Structure:
CAS RN: 36053-26-6
CAS Name: 2-[(carbamothioylamino)-oxomethyl]benzoic acid
OPENEYE Name: 2-(carbamothioylcarbamoyl)benzoic acid
IUPAC Name: 2-(carbamothioylcarbamoyl)benzoic acid
SYSTEMATIC NAME: 2-(carbamothioylcarbamoyl)benzoic acid
MOLECULAR FORMULA: C9H8N2O3S
MOLECULAR WEIGHT: 224.23642
SMILES: C1=CC=C(C(=C1)C(=O)NC(=S)N)C(=O)O
Structure:
CAS RN: 5259-86-9
CAS Name: 2-[[(4-aminophenyl)-oxomethyl]amino]acetic acid methyl ester
OPENEYE Name: methyl 2-[(4-aminobenzoyl)amino]acetate
IUPAC Name: methyl 2-[(4-aminobenzoyl)amino]acetate
SYSTEMATIC NAME: methyl 2-[(4-aminophenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C10H12N2O3
MOLECULAR WEIGHT: 208.21388
SMILES: COC(=O)CNC(=O)C1=CC=C(C=C1)N
Structure:
CAS RN: 23018-35-1
CAS Name: 2-hydroxy-5-methylpyrido[4,3-b]carbazole
OPENEYE Name: 2-hydroxy-5-methyl-pyrido[4,3-b]carbazole
IUPAC Name: 2-hydroxy-5-methylpyrido[4,3-b]carbazole
SYSTEMATIC NAME: 5-methyl-2-oxidanyl-pyrido[4,3-b]carbazole
MOLECULAR FORMULA: C16H12N2O
MOLECULAR WEIGHT: 248.27928
SMILES: CC1=C2C=CN(C=C2C=C3C1=NC4=CC=CC=C43)O
Structure:
CAS RN: 399-68-8
CAS Name: 4-fluoro-1H-indole-2-carboxylic acid
OPENEYE Name: 4-fluoro-1H-indole-2-carboxylic acid
IUPAC Name: 4-fluoro-1H-indole-2-carboxylic acid
SYSTEMATIC NAME: 4-fluoranyl-1H-indole-2-carboxylic acid
MOLECULAR FORMULA: C9H6FNO2
MOLECULAR WEIGHT: 179.147843
SMILES: C1=CC2=C(C=C(N2)C(=O)O)C(=C1)F
Structure:
CAS RN: 92034-82-7
CAS Name: 4-[[(carbamothioylamino)-sulfanylidenemethyl]amino]-N,N-diethylbenzamide
OPENEYE Name: 4-(carbamothioylcarbamothioylamino)-N,N-diethyl-benzamide
IUPAC Name: 4-(carbamothioylcarbamothioylamino)-N,N-diethylbenzamide
SYSTEMATIC NAME: 4-(carbamothioylcarbamothioylamino)-N,N-diethyl-benzamide
MOLECULAR FORMULA: C13H18N4OS2
MOLECULAR WEIGHT: 310.43822
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)NC(=S)NC(=S)N
Structure:
CAS RN: 78797-14-5
CAS Name: [2-(phenylhydrazinylidene)ethylideneamino]thiourea
OPENEYE Name: [2-(phenylhydrazono)ethylideneamino]thiourea
IUPAC Name: [2-(phenylhydrazinylidene)ethylideneamino]thiourea
SYSTEMATIC NAME: 1-[2-(phenylhydrazinylidene)ethylideneamino]thiourea
MOLECULAR FORMULA: C9H11N5S
MOLECULAR WEIGHT: 221.28214
SMILES: C1=CC=C(C=C1)NN=CC=NNC(=S)N
Structure:
CAS RN: 82302-19-0
CAS Name: 4-amino-2-methyl-5-pyrimidinecarbothioamide
OPENEYE Name: 4-amino-2-methyl-pyrimidine-5-carbothioamide
IUPAC Name: 4-amino-2-methylpyrimidine-5-carbothioamide
SYSTEMATIC NAME: 4-azanyl-2-methyl-pyrimidine-5-carbothioamide
MOLECULAR FORMULA: C6H8N4S
MOLECULAR WEIGHT: 168.21952
SMILES: CC1=NC=C(C(=N1)N)C(=S)N
Structure:
CAS RN: 65548-55-2
CAS Name: 2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-chromen-4-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-chromen-4-one
MOLECULAR FORMULA: C19H18O6
MOLECULAR WEIGHT: 342.34262
SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)OC)OC)OC
Structure:
CAS RN: 105321-49-1
CAS Name: 1-(3-fluoro-4-methoxyphenyl)ethanamine
OPENEYE Name: 1-(3-fluoro-4-methoxy-phenyl)ethanamine
IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)ethanamine
SYSTEMATIC NAME: 1-(3-fluoranyl-4-methoxy-phenyl)ethanamine
MOLECULAR FORMULA: C9H12FNO
MOLECULAR WEIGHT: 169.196083
SMILES: CC(C1=CC(=C(C=C1)OC)F)N
Structure:
CAS RN: 57071-58-6
CAS Name: 4,6-diamino-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarbothioamide
OPENEYE Name: 4,6-diamino-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide
IUPAC Name: 4,6-diamino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide
SYSTEMATIC NAME: 4,6-bis(azanyl)-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide
MOLECULAR FORMULA: C12H16N6O4S
MOLECULAR WEIGHT: 340.35824
SMILES: C1=NC2=C(C(=C(N2C3C(C(C(O3)CO)O)O)N)C(=S)N)C(=N1)N
Structure:
CAS RN: 6961-55-3
CAS Name: 2-(6-methyl-1-oxido-2-pyridin-1-iumyl)-1-phenylethanone
OPENEYE Name: 2-(6-methyl-1-oxido-pyridin-1-ium-2-yl)-1-phenyl-ethanone
IUPAC Name: 2-(6-methyl-1-oxidopyridin-1-ium-2-yl)-1-phenylethanone
SYSTEMATIC NAME: 2-(6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-1-phenyl-ethanone
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: CC1=[N+](C(=CC=C1)CC(=O)C2=CC=CC=C2)[O-]
Structure:
CAS RN: 3705-86-0
CAS Name: 5,6-dinitro-1,3-dihydrobenzimidazol-2-one
OPENEYE Name: 5,6-dinitro-1,3-dihydrobenzimidazol-2-one
IUPAC Name: 5,6-dinitro-1,3-dihydrobenzimidazol-2-one
SYSTEMATIC NAME: 5,6-dinitro-1,3-dihydrobenzimidazol-2-one
MOLECULAR FORMULA: C7H4N4O5
MOLECULAR WEIGHT: 224.13046
SMILES: C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)N2
Structure:
CAS RN: 84669-06-7
CAS Name: 2-[(carbamothioylhydrazinylidene)methyl]butanoic acid ethyl ester
OPENEYE Name: ethyl 2-[(carbamothioylhydrazono)methyl]butanoate
IUPAC Name: ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate
SYSTEMATIC NAME: ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate
MOLECULAR FORMULA: C8H15N3O2S
MOLECULAR WEIGHT: 217.2886
SMILES: CCC(C=NNC(=S)N)C(=O)OCC
Structure:
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