CAS RN: 75552-46-4
CAS Name: 2-(3-chlorophenyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(3-chlorophenyl)-1,4-benzoquinone
IUPAC Name: 2-(3-chlorophenyl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(3-chlorophenyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C12H7ClO2
MOLECULAR WEIGHT: 218.63578
SMILES: C1=CC(=CC(=C1)Cl)C2=CC(=O)C=CC2=O
Structure:
CAS RN: 17231-03-7
CAS Name: 3,5,6,9-tetramethyl-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 3,5,6,9-tetramethylfuro[3,2-g]chromen-7-one
IUPAC Name: 3,5,6,9-tetramethylfuro[3,2-g]chromen-7-one
SYSTEMATIC NAME: 3,5,6,9-tetramethylfuro[3,2-g]chromen-7-one
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)C)C)C
Structure:
CAS RN: 5679-18-5
CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate
IUPAC Name: ethyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate
MOLECULAR FORMULA: C9H13N3O4
MOLECULAR WEIGHT: 227.21722
SMILES: CCOC(=O)CN1C(=C(C(=N1)C)[N+](=O)[O-])C
Structure:
CAS RN: 433233-80-8
CAS Name: 3-[5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid
OPENEYE Name: 3-[5-(p-tolyl)-1H-pyrrol-2-yl]propanoic acid
IUPAC Name: 3-[5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid
SYSTEMATIC NAME: 3-[5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CC1=CC=C(C=C1)C2=CC=C(N2)CCC(=O)O
Structure:
CAS RN: 39116-24-0
CAS Name: [2-(1-pyrrolyl)phenyl]methanamine
OPENEYE Name: (2-pyrrol-1-ylphenyl)methanamine
IUPAC Name: (2-pyrrol-1-ylphenyl)methanamine
SYSTEMATIC NAME: (2-pyrrol-1-ylphenyl)methanamine
MOLECULAR FORMULA: C11H12N2
MOLECULAR WEIGHT: 172.22638
SMILES: C1=CC=C(C(=C1)CN)N2C=CC=C2
Structure:
CAS RN: 63010-69-5
CAS Name: 8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 8-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C12H10FNO3
MOLECULAR WEIGHT: 235.211103
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2F
Structure:
CAS RN: 531-88-4
CAS Name: 1-(3-chloro-4-methylphenyl)pyrrole-2,5-dione
OPENEYE Name: 1-(3-chloro-4-methyl-phenyl)pyrrole-2,5-dione
IUPAC Name: 1-(3-chloro-4-methylphenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C11H8ClNO2
MOLECULAR WEIGHT: 221.63972
SMILES: CC1=C(C=C(C=C1)N2C(=O)C=CC2=O)Cl
Structure:
CAS RN: 38160-37-1
CAS Name: (E)-4-(4-methylanilino)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(4-methylanilino)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(4-methylanilino)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[(4-methylphenyl)amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: CC1=CC=C(C=C1)NC(=O)/C=C/C(=O)O
Structure:
CAS RN: 842-74-0
CAS Name: (4Z)-2-phenyl-4-(phenylmethylene)-5-oxazolone
OPENEYE Name: (4Z)-4-benzylidene-2-phenyl-oxazol-5-one
IUPAC Name: (4Z)-4-benzylidene-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-2-phenyl-4-(phenylmethylidene)-1,3-oxazol-5-one
MOLECULAR FORMULA: C16H11NO2
MOLECULAR WEIGHT: 249.26404
SMILES: C1=CC=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3
Structure:
CAS RN: 42135-76-2
CAS Name: 1-amino-3-(3-chlorophenyl)thiourea
OPENEYE Name: 1-amino-3-(3-chlorophenyl)thiourea
IUPAC Name: 1-amino-3-(3-chlorophenyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(3-chlorophenyl)thiourea
MOLECULAR FORMULA: C7H8ClN3S
MOLECULAR WEIGHT: 201.67652
SMILES: C1=CC(=CC(=C1)Cl)NC(=S)NN
Structure:
CAS RN: 583-39-1
CAS Name: 1,3-dihydrobenzimidazole-2-thione
OPENEYE Name: 1,3-dihydrobenzimidazole-2-thione
IUPAC Name: 1,3-dihydrobenzimidazole-2-thione
SYSTEMATIC NAME: 1,3-dihydrobenzimidazole-2-thione
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: C1=CC=C2C(=C1)NC(=S)N2
Structure:
CAS RN: 124449-02-1
CAS Name: 1,3-dihydrobenzimidazole-2-thione
OPENEYE Name: 1,3-dihydrobenzimidazole-2-thione
IUPAC Name: 1,3-dihydrobenzimidazole-2-thione
SYSTEMATIC NAME: 1,3-dihydrobenzimidazole-2-thione
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: C1=CC=C2C(=C1)NC(=S)N2
Structure:
CAS RN: 12640-35-6
CAS Name: 1,3-dihydrobenzimidazole-2-thione
OPENEYE Name: 1,3-dihydrobenzimidazole-2-thione
IUPAC Name: 1,3-dihydrobenzimidazole-2-thione
SYSTEMATIC NAME: 1,3-dihydrobenzimidazole-2-thione
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: C1=CC=C2C(=C1)NC(=S)N2
Structure:
CAS RN: 138464-55-8
CAS Name: 1,3-dihydrobenzimidazole-2-thione
OPENEYE Name: 1,3-dihydrobenzimidazole-2-thione
IUPAC Name: 1,3-dihydrobenzimidazole-2-thione
SYSTEMATIC NAME: 1,3-dihydrobenzimidazole-2-thione
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: C1=CC=C2C(=C1)NC(=S)N2
Structure:
CAS RN: 2080-59-3
CAS Name: 1,3-dihydrobenzimidazole-2-thione
OPENEYE Name: 1,3-dihydrobenzimidazole-2-thione
IUPAC Name: 1,3-dihydrobenzimidazole-2-thione
SYSTEMATIC NAME: 1,3-dihydrobenzimidazole-2-thione
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: C1=CC=C2C(=C1)NC(=S)N2
Structure:
CAS RN: 2254-59-3
CAS Name: 1,3-dihydrobenzimidazole-2-thione
OPENEYE Name: 1,3-dihydrobenzimidazole-2-thione
IUPAC Name: 1,3-dihydrobenzimidazole-2-thione
SYSTEMATIC NAME: 1,3-dihydrobenzimidazole-2-thione
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: C1=CC=C2C(=C1)NC(=S)N2
Structure:
CAS RN: 49608-67-5
CAS Name: 1,3-dihydrobenzimidazole-2-thione
OPENEYE Name: 1,3-dihydrobenzimidazole-2-thione
IUPAC Name: 1,3-dihydrobenzimidazole-2-thione
SYSTEMATIC NAME: 1,3-dihydrobenzimidazole-2-thione
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: C1=CC=C2C(=C1)NC(=S)N2
Structure:
CAS RN: 22814-92-2
CAS Name: 1-amino-3-(4-chlorophenyl)thiourea
OPENEYE Name: 1-amino-3-(4-chlorophenyl)thiourea
IUPAC Name: 1-amino-3-(4-chlorophenyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(4-chlorophenyl)thiourea
MOLECULAR FORMULA: C7H8ClN3S
MOLECULAR WEIGHT: 201.67652
SMILES: C1=CC(=CC=C1NC(=S)NN)Cl
Structure:
CAS RN: 123218-79-1
CAS Name: 1,3-bis(2-methoxyphenyl)thiourea
OPENEYE Name: 1,3-bis(2-methoxyphenyl)thiourea
IUPAC Name: 1,3-bis(2-methoxyphenyl)thiourea
SYSTEMATIC NAME: 1,3-bis(2-methoxyphenyl)thiourea
MOLECULAR FORMULA: C15H16N2O2S
MOLECULAR WEIGHT: 288.36474
SMILES: COC1=CC=CC=C1NC(=S)NC2=CC=CC=C2OC
Structure:
CAS RN: 1227-45-8
CAS Name: 1,3-bis(4-methoxyphenyl)thiourea
OPENEYE Name: 1,3-bis(4-methoxyphenyl)thiourea
IUPAC Name: 1,3-bis(4-methoxyphenyl)thiourea
SYSTEMATIC NAME: 1,3-bis(4-methoxyphenyl)thiourea
MOLECULAR FORMULA: C15H16N2O2S
MOLECULAR WEIGHT: 288.36474
SMILES: COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC
Structure:
CAS RN: 20734-30-9
CAS Name: 1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone
OPENEYE Name: 1-(2-hydroxy-4,5-dimethoxy-phenyl)ethanone
IUPAC Name: 1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(4,5-dimethoxy-2-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CC(=O)C1=CC(=C(C=C1O)OC)OC
Structure:
CAS RN: 75727-47-8
CAS Name: 5-(4-methyl-1-piperazinyl)-5-oxopentanoic acid
OPENEYE Name: 5-(4-methylpiperazin-1-yl)-5-oxo-pentanoic acid
IUPAC Name: 5-(4-methylpiperazin-1-yl)-5-oxopentanoic acid
SYSTEMATIC NAME: 5-(4-methylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C10H18N2O3
MOLECULAR WEIGHT: 214.26152
SMILES: CN1CCN(CC1)C(=O)CCCC(=O)O
Structure:
CAS RN: 175135-67-8
CAS Name: 5-nitro-2-(phenylmethylthio)benzonitrile
OPENEYE Name: 2-benzylsulfanyl-5-nitro-benzonitrile
IUPAC Name: 2-benzylsulfanyl-5-nitrobenzonitrile
SYSTEMATIC NAME: 5-nitro-2-(phenylmethylsulfanyl)benzenecarbonitrile
MOLECULAR FORMULA: C14H10N2O2S
MOLECULAR WEIGHT: 270.3064
SMILES: C1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C#N
Structure:
CAS RN: 734529-57-8
CAS Name: (3S)-3-amino-3-(3-nitrophenyl)propanoic acid
OPENEYE Name: (3S)-3-amino-3-(3-nitrophenyl)propanoic acid
IUPAC Name: (3S)-3-amino-3-(3-nitrophenyl)propanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-3-(3-nitrophenyl)propanoic acid
MOLECULAR FORMULA: C9H10N2O4
MOLECULAR WEIGHT: 210.1867
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])[C@H](CC(=O)O)N
Structure:
CAS RN: 5808-72-0
CAS Name: 2-(3,4-diethoxyphenyl)-N-phenylacetamide
OPENEYE Name: 2-(3,4-diethoxyphenyl)-N-phenyl-acetamide
IUPAC Name: 2-(3,4-diethoxyphenyl)-N-phenylacetamide
SYSTEMATIC NAME: 2-(3,4-diethoxyphenyl)-N-phenyl-ethanamide
MOLECULAR FORMULA: C18H21NO3
MOLECULAR WEIGHT: 299.36424
SMILES: CCOC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2)OCC
Structure:
CAS RN: 73912-52-4
CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-2-propenoic acid
OPENEYE Name: (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoic acid
IUPAC Name: (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoic acid
MOLECULAR FORMULA: C18H14N2O2
MOLECULAR WEIGHT: 290.31596
SMILES: C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 16927-50-7
CAS Name: 1-(4-chlorophenyl)sulfonylpyrrole
OPENEYE Name: 1-(4-chlorophenyl)sulfonylpyrrole
IUPAC Name: 1-(4-chlorophenyl)sulfonylpyrrole
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonylpyrrole
MOLECULAR FORMULA: C10H8ClNO2S
MOLECULAR WEIGHT: 241.69402
SMILES: C1=CN(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
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