Tuesday, November 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-methoxybenzenesulfonate
CAS Name: 4-methoxybenzenesulfonic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester
IUPAC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-methoxybenzenesulfonate
SYSTEMATIC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-methoxybenzenesulfonate
MOLECULAR FORMULA: C15H13N3O7S2
MOLECULAR WEIGHT: 411.40962
SMILES: COC1=CC=C(C=C1)S(=O)(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl N-(4-fluorophenyl)carbamate
CAS Name: N-(4-fluorophenyl)carbamic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester
IUPAC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl N-(4-fluorophenyl)carbamate
SYSTEMATIC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl N-(4-fluorophenyl)carbamate
MOLECULAR FORMULA: C15H11FN4O5S
MOLECULAR WEIGHT: 378.335043
SMILES: C1=CC(=CC=C1NC(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-])F
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Product OPENEYE NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 3-(trifluoromethyl)benzenesulfonate
CAS Name: 3-(trifluoromethyl)benzenesulfonic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester
IUPAC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 3-(trifluoromethyl)benzenesulfonate
SYSTEMATIC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 3-(trifluoromethyl)benzenesulfonate
MOLECULAR FORMULA: C15H10F3N3O6S2
MOLECULAR WEIGHT: 449.38161
SMILES: C1=CC(=CC(=C1)S(=O)(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl N-[3-(trifluoromethyl)phenyl]carbamate
CAS Name: N-[3-(trifluoromethyl)phenyl]carbamic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester
IUPAC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl N-[3-(trifluoromethyl)phenyl]carbamate
SYSTEMATIC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl N-[3-(trifluoromethyl)phenyl]carbamate
MOLECULAR FORMULA: C16H11F3N4O5S
MOLECULAR WEIGHT: 428.34255
SMILES: C1=CC(=CC(=C1)NC(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-thiazole-5-carboxylate
CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-5-thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C15H15NO4S
MOLECULAR WEIGHT: 305.3489
SMILES: CCOC(=O)C1=C(N=C(S1)C2COC3=CC=CC=C3O2)C
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Product OPENEYE NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl N-(2,4-dichlorophenyl)carbamate
CAS Name: N-(2,4-dichlorophenyl)carbamic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester
IUPAC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl N-(2,4-dichlorophenyl)carbamate
SYSTEMATIC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl N-(2,4-dichlorophenyl)carbamate
MOLECULAR FORMULA: C15H10Cl2N4O5S
MOLECULAR WEIGHT: 429.2347
SMILES: C1=CC(=C(C=C1Cl)Cl)NC(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[[2-[(4-chlorophenyl)methylsulfanyl]quinuclidine-3-carbonyl]amino]-3-methyl-thiourea
CAS Name: 1-[[[2-[(4-chlorophenyl)methylthio]-1-azabicyclo[2.2.2]octan-3-yl]-oxomethyl]amino]-3-methylthiourea
IUPAC NAME: 1-[[2-[(4-chlorophenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carbonyl]amino]-3-methylthiourea
SYSTEMATIC NAME: 1-[[2-[(4-chlorophenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-3-methyl-thiourea
MOLECULAR FORMULA: C17H23ClN4OS2
MOLECULAR WEIGHT: 398.97372
SMILES: CNC(=S)NNC(=O)C1C2CCN(C1SCC3=CC=C(C=C3)Cl)CC2
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Product OPENEYE NAME: 1-[[2-[(4-chlorophenyl)methylsulfanyl]quinuclidine-3-carbonyl]amino]-3-phenyl-urea
CAS Name: 1-[[[2-[(4-chlorophenyl)methylthio]-1-azabicyclo[2.2.2]octan-3-yl]-oxomethyl]amino]-3-phenylurea
IUPAC NAME: 1-[[2-[(4-chlorophenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carbonyl]amino]-3-phenylurea
SYSTEMATIC NAME: 1-[[2-[(4-chlorophenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-3-phenyl-urea
MOLECULAR FORMULA: C22H25ClN4O2S
MOLECULAR WEIGHT: 444.9775
SMILES: C1CN2CCC1C(C2SCC3=CC=C(C=C3)Cl)C(=O)NNC(=O)NC4=CC=CC=C4
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Product OPENEYE NAME: 1-(5-chloro-2-thienyl)-3-[5-(5-chloro-2-thienyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CAS Name: 1-(5-chloro-2-thiophenyl)-3-[5-(5-chloro-2-thiophenyl)-3,4-dihydropyrazol-2-yl]-1-propanone
IUPAC NAME: 1-(5-chlorothiophen-2-yl)-3-[5-(5-chlorothiophen-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
SYSTEMATIC NAME: 1-(5-chloranylthiophen-2-yl)-3-[5-(5-chloranylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
MOLECULAR FORMULA: C14H12Cl2N2OS2
MOLECULAR WEIGHT: 359.29388
SMILES: C1CN(N=C1C2=CC=C(S2)Cl)CCC(=O)C3=CC=C(S3)Cl
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Product OPENEYE NAME: 2-[(4-chlorophenyl)methylsulfanyl]-N'-(2,4-dichlorophenyl)sulfonyl-quinuclidine-3-carbohydrazide hydrochloride
CAS Name: 2-[(4-chlorophenyl)methylthio]-N'-(2,4-dichlorophenyl)sulfonyl-1-azabicyclo[2.2.2]octane-3-carbohydrazide hydrochloride
IUPAC NAME: 2-[(4-chlorophenyl)methylsulfanyl]-N'-(2,4-dichlorophenyl)sulfonyl-1-azabicyclo[2.2.2]octane-3-carbohydrazide hydrochloride
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylsulfanyl]-N'-(2,4-dichlorophenyl)sulfonyl-1-azabicyclo[2.2.2]octane-3-carbohydrazide hydrochloride
MOLECULAR FORMULA: C21H23Cl4N3O3S2
MOLECULAR WEIGHT: 571.36762
SMILES: C1CN2CCC1C(C2SCC3=CC=C(C=C3)Cl)C(=O)NNS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl.Cl
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Product OPENEYE NAME: 2-[(4-chlorophenyl)methylsulfanyl]-N'-(2,4-dichlorophenyl)sulfonyl-quinuclidine-3-carbohydrazide
CAS Name: 2-[(4-chlorophenyl)methylthio]-N'-(2,4-dichlorophenyl)sulfonyl-1-azabicyclo[2.2.2]octane-3-carbohydrazide
IUPAC NAME: 2-[(4-chlorophenyl)methylsulfanyl]-N'-(2,4-dichlorophenyl)sulfonyl-1-azabicyclo[2.2.2]octane-3-carbohydrazide
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylsulfanyl]-N'-(2,4-dichlorophenyl)sulfonyl-1-azabicyclo[2.2.2]octane-3-carbohydrazide
MOLECULAR FORMULA: C21H22Cl3N3O3S2
MOLECULAR WEIGHT: 534.90668
SMILES: C1CN2CCC1C(C2SCC3=CC=C(C=C3)Cl)C(=O)NNS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl
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Product OPENEYE NAME: ethyl 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-phthalazin-1-yl]acetate
CAS Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetate
SYSTEMATIC NAME: ethyl 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate
MOLECULAR FORMULA: C19H16BrFN2O3
MOLECULAR WEIGHT: 419.244343
SMILES: CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=C(C=C(C=C3)Br)F
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Product OPENEYE NAME: indan-2-yl(pyrrolidin-1-yl)methanone
CAS Name: 2,3-dihydro-1H-inden-2-yl(1-pyrrolidinyl)methanone
IUPAC NAME: 2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone
SYSTEMATIC NAME: 2,3-dihydro-1H-inden-2-yl(pyrrolidin-1-yl)methanone
MOLECULAR FORMULA: C14H17NO
MOLECULAR WEIGHT: 215.29088
SMILES: C1CCN(C1)C(=O)C2CC3=CC=CC=C3C2
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Product OPENEYE NAME: indan-2-yl(1-piperidyl)methanone
CAS Name: 2,3-dihydro-1H-inden-2-yl(1-piperidinyl)methanone
IUPAC NAME: 2,3-dihydro-1H-inden-2-yl(piperidin-1-yl)methanone
SYSTEMATIC NAME: 2,3-dihydro-1H-inden-2-yl(piperidin-1-yl)methanone
MOLECULAR FORMULA: C15H19NO
MOLECULAR WEIGHT: 229.31746
SMILES: C1CCN(CC1)C(=O)C2CC3=CC=CC=C3C2
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