Friday, October 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26N2S
MOLECULAR WEIGHT: 326.49884
SMILES: CC(C)C1=CC=C(C=C1)NC(=S)NC2CC3CC2C4C3CC=C4
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Product OPENEYE NAME: 4-(4-bromophenyl)-2-(4-chlorophenyl)thiazole hydrobromide
CAS Name: 4-(4-bromophenyl)-2-(4-chlorophenyl)thiazole hydrobromide
IUPAC NAME: 4-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-thiazole hydrobromide
SYSTEMATIC NAME: 4-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-thiazole hydrobromide
MOLECULAR FORMULA: C15H10Br2ClNS
MOLECULAR WEIGHT: 431.5726
SMILES: C1=CC(=CC=C1C2=NC(=CS2)C3=CC=C(C=C3)Br)Cl.Br
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Product OPENEYE NAME: 4-(4-bromophenyl)-2-(4-chlorophenyl)thiazole
CAS Name: 4-(4-bromophenyl)-2-(4-chlorophenyl)thiazole
IUPAC NAME: 4-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-thiazole
SYSTEMATIC NAME: 4-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-thiazole
MOLECULAR FORMULA: C15H9BrClNS
MOLECULAR WEIGHT: 350.66066
SMILES: C1=CC(=CC=C1C2=NC(=CS2)C3=CC=C(C=C3)Br)Cl
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Product OPENEYE NAME: 2-(4-chlorophenyl)-4-(4-nitrophenyl)thiazole hydrobromide
CAS Name: 2-(4-chlorophenyl)-4-(4-nitrophenyl)thiazole hydrobromide
IUPAC NAME: 2-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole hydrobromide
SYSTEMATIC NAME: 2-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole hydrobromide
MOLECULAR FORMULA: C15H10BrClN2O2S
MOLECULAR WEIGHT: 397.6741
SMILES: C1=CC(=CC=C1C2=CSC(=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-].Br
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Product OPENEYE NAME: 5-bromo-3-[2-(4-pyridylmethylene)hydrazino]indol-2-one
CAS Name: 5-bromo-3-[2-(pyridin-4-ylmethylidene)hydrazinyl]-2-indolone
IUPAC NAME: 5-bromo-3-[2-(pyridin-4-ylmethylidene)hydrazinyl]indol-2-one
SYSTEMATIC NAME: 5-bromanyl-3-[2-(pyridin-4-ylmethylidene)hydrazinyl]indol-2-one
MOLECULAR FORMULA: C14H9BrN4O
MOLECULAR WEIGHT: 329.15146
SMILES: C1=CC2=NC(=O)C(=C2C=C1Br)NN=CC3=CC=NC=C3
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Product OPENEYE NAME: 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenyl-quinoline
CAS Name: 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline
IUPAC NAME: 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline
SYSTEMATIC NAME: 6-chloranyl-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenyl-quinoline
MOLECULAR FORMULA: C24H20ClNO2
MOLECULAR WEIGHT: 389.8741
SMILES: CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC
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Product OPENEYE NAME: 2-(1,3-benzodioxol-5-yl)-6-chloro-4-phenyl-quinoline
CAS Name: 2-(1,3-benzodioxol-5-yl)-6-chloro-4-phenylquinoline
IUPAC NAME: 2-(1,3-benzodioxol-5-yl)-6-chloro-4-phenylquinoline
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)-6-chloranyl-4-phenyl-quinoline
MOLECULAR FORMULA: C22H14ClNO2
MOLECULAR WEIGHT: 359.80506
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C5=CC=CC=C5
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Product OPENEYE NAME: 6-chloro-2-(7-ethyl-1,1,4,4-tetramethyl-tetralin-6-yl)-4-phenyl-quinoline
CAS Name: 6-chloro-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-phenylquinoline
IUPAC NAME: 6-chloro-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-phenylquinoline
SYSTEMATIC NAME: 6-chloranyl-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-phenyl-quinoline
MOLECULAR FORMULA: C31H32ClN
MOLECULAR WEIGHT: 454.04548
SMILES: CCC1=CC2=C(C=C1C3=NC4=C(C=C(C=C4)Cl)C(=C3)C5=CC=CC=C5)C(CCC2(C)C)(C)C
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Product OPENEYE NAME: 2-chloro-16-phenyl-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[b]quinoline
CAS Name: 2-chloro-16-phenyl-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[b]quinoline
IUPAC NAME: 2-chloro-16-phenyl-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[b]quinoline
SYSTEMATIC NAME: 2-chloranyl-16-phenyl-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[b]quinoline
MOLECULAR FORMULA: C25H28ClN
MOLECULAR WEIGHT: 377.94952
SMILES: C1CCCCCC2=C(CCCC1)C(=C3C=C(C=CC3=N2)Cl)C4=CC=CC=C4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H22N2S2
MOLECULAR WEIGHT: 474.63908
SMILES: C1CC2=C(C3=C(C4=C(S3)SC5=C4N=C6CCCC6=C5C7=CC=CC=C7)N=C2C1)C8=CC=CC=C8
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23N3S
MOLECULAR WEIGHT: 337.48172
SMILES: C1C=CC2C1C3CC2C(C3)NC(=S)NN=CC=CC4=CC=CC=C4
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Product OPENEYE NAME: 1,3-bis(2-chloro-6-methyl-phenyl)thiourea
CAS Name: 1,3-bis(2-chloro-6-methylphenyl)thiourea
IUPAC NAME: 1,3-bis(2-chloro-6-methylphenyl)thiourea
SYSTEMATIC NAME: 1,3-bis(2-chloranyl-6-methyl-phenyl)thiourea
MOLECULAR FORMULA: C15H14Cl2N2S
MOLECULAR WEIGHT: 325.25606
SMILES: CC1=C(C(=CC=C1)Cl)NC(=S)NC2=C(C=CC=C2Cl)C
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Product OPENEYE NAME: 1-amino-3-(2,3,3-trimethylnorbornan-2-yl)thiourea
CAS Name: 1-amino-3-(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)thiourea
IUPAC NAME: 1-amino-3-(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)thiourea
MOLECULAR FORMULA: C11H21N3S
MOLECULAR WEIGHT: 227.36954
SMILES: CC1(C2CCC(C2)C1(C)NC(=S)NN)C
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Product OPENEYE NAME: 2-[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]acetonitrile
CAS Name: 2-[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetonitrile
IUPAC NAME: 2-[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetonitrile
SYSTEMATIC NAME: 2-[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanenitrile
MOLECULAR FORMULA: C11H10N4S
MOLECULAR WEIGHT: 230.2889
SMILES: CC1=CC(=CC=C1)N2C(=NNC2=S)CC#N
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Product OPENEYE NAME: 1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline
CAS Name: 1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline
IUPAC NAME: 1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline
SYSTEMATIC NAME: 1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline
MOLECULAR FORMULA: C21H21N
MOLECULAR WEIGHT: 287.39814
SMILES: CC1CC(C2=C(C3=CC=CC=C3N=C12)C4=CC=CC=C4)(C)C
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Product OPENEYE NAME: 10-phenyl-11H-indeno[1,2-b]quinoline
CAS Name: 10-phenyl-11H-indeno[1,2-b]quinoline
IUPAC NAME: 10-phenyl-11H-indeno[1,2-b]quinoline
SYSTEMATIC NAME: 10-phenyl-11H-indeno[1,2-b]quinoline
MOLECULAR FORMULA: C22H15N
MOLECULAR WEIGHT: 293.3612
SMILES: C1C2=CC=CC=C2C3=NC4=CC=CC=C4C(=C31)C5=CC=CC=C5
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Product OPENEYE NAME: 1-[4-(diethylamino)-2-methyl-phenyl]-3-(4-methoxyphenyl)thiourea
CAS Name: 1-[4-(diethylamino)-2-methylphenyl]-3-(4-methoxyphenyl)thiourea
IUPAC NAME: 1-[4-(diethylamino)-2-methylphenyl]-3-(4-methoxyphenyl)thiourea
SYSTEMATIC NAME: 1-[4-(diethylamino)-2-methyl-phenyl]-3-(4-methoxyphenyl)thiourea
MOLECULAR FORMULA: C19H25N3OS
MOLECULAR WEIGHT: 343.4863
SMILES: CCN(CC)C1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]acetonitrile
CAS Name: 2-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetonitrile
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetonitrile
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanenitrile
MOLECULAR FORMULA: C12H12N4S
MOLECULAR WEIGHT: 244.31548
SMILES: CC1=CC(=C(C=C1)N2C(=NNC2=S)CC#N)C
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Product OPENEYE NAME: 3,4-dichloro-N-(2-pyrrol-1-ylphenyl)benzamide
CAS Name: 3,4-dichloro-N-[2-(1-pyrrolyl)phenyl]benzamide
IUPAC NAME: 3,4-dichloro-N-(2-pyrrol-1-ylphenyl)benzamide
SYSTEMATIC NAME: 3,4-bis(chloranyl)-N-(2-pyrrol-1-ylphenyl)benzamide
MOLECULAR FORMULA: C17H12Cl2N2O
MOLECULAR WEIGHT: 331.19598
SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)N3C=CC=C3
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Product OPENEYE NAME: 1-(3-methoxyphenyl)-3-(2-pyrrol-1-ylphenyl)thiourea
CAS Name: 1-(3-methoxyphenyl)-3-[2-(1-pyrrolyl)phenyl]thiourea
IUPAC NAME: 1-(3-methoxyphenyl)-3-(2-pyrrol-1-ylphenyl)thiourea
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-3-(2-pyrrol-1-ylphenyl)thiourea
MOLECULAR FORMULA: C18H17N3OS
MOLECULAR WEIGHT: 323.41208
SMILES: COC1=CC=CC(=C1)NC(=S)NC2=CC=CC=C2N3C=CC=C3
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Product OPENEYE NAME: 1-(2-chlorophenyl)-3-(2-pyrrol-1-ylphenyl)thiourea
CAS Name: 1-(2-chlorophenyl)-3-[2-(1-pyrrolyl)phenyl]thiourea
IUPAC NAME: 1-(2-chlorophenyl)-3-(2-pyrrol-1-ylphenyl)thiourea
SYSTEMATIC NAME: 1-(2-chlorophenyl)-3-(2-pyrrol-1-ylphenyl)thiourea
MOLECULAR FORMULA: C17H14ClN3S
MOLECULAR WEIGHT: 327.83116
SMILES: C1=CC=C(C(=C1)NC(=S)NC2=CC=CC=C2Cl)N3C=CC=C3
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Product OPENEYE NAME: 1-methyl-3-(2-pyrrol-1-ylphenyl)thiourea
CAS Name: 1-methyl-3-[2-(1-pyrrolyl)phenyl]thiourea
IUPAC NAME: 1-methyl-3-(2-pyrrol-1-ylphenyl)thiourea
SYSTEMATIC NAME: 1-methyl-3-(2-pyrrol-1-ylphenyl)thiourea
MOLECULAR FORMULA: C12H13N3S
MOLECULAR WEIGHT: 231.31672
SMILES: CNC(=S)NC1=CC=CC=C1N2C=CC=C2
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