Saturday, December 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-benzyl-2,1,3-benzoxadiazole-5-carboxamide
CAS Name: N-(phenylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
IUPAC NAME: N-benzyl-2,1,3-benzoxadiazole-5-carboxamide
SYSTEMATIC NAME: N-(phenylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
MOLECULAR FORMULA: C14H11N3O2
MOLECULAR WEIGHT: 253.25604
SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC3=NON=C3C=C2
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Product OPENEYE NAME: 3-(5-chloro-3-methyl-benzothiophen-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CAS Name: 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
IUPAC NAME: 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SYSTEMATIC NAME: 3-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
MOLECULAR FORMULA: C13H10ClF3N2OS
MOLECULAR WEIGHT: 334.74451
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NNC(C3)(C(F)(F)F)O
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Product OPENEYE NAME: 3-(2-naphthyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CAS Name: 3-(2-naphthalenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
IUPAC NAME: 3-naphthalen-2-yl-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SYSTEMATIC NAME: 3-naphthalen-2-yl-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
MOLECULAR FORMULA: C14H11F3N2O
MOLECULAR WEIGHT: 280.24515
SMILES: C1C(=NNC1(C(F)(F)F)O)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: methyl 4-(isopropylamino)-3-nitro-benzoate
CAS Name: 3-nitro-4-(propan-2-ylamino)benzoic acid methyl ester
IUPAC NAME: methyl 3-nitro-4-(propan-2-ylamino)benzoate
SYSTEMATIC NAME: methyl 3-nitro-4-(propan-2-ylamino)benzoate
MOLECULAR FORMULA: C11H14N2O4
MOLECULAR WEIGHT: 238.23986
SMILES: CC(C)NC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]
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Product OPENEYE NAME: N-(5-methylisoxazol-3-yl)-2,1,3-benzoxadiazole-5-carboxamide
CAS Name: N-(5-methyl-3-isoxazolyl)-2,1,3-benzoxadiazole-5-carboxamide
IUPAC NAME: N-(5-methyl-1,2-oxazol-3-yl)-2,1,3-benzoxadiazole-5-carboxamide
SYSTEMATIC NAME: N-(5-methyl-1,2-oxazol-3-yl)-2,1,3-benzoxadiazole-5-carboxamide
MOLECULAR FORMULA: C11H8N4O3
MOLECULAR WEIGHT: 244.20622
SMILES: CC1=CC(=NO1)NC(=O)C2=CC3=NON=C3C=C2
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Product OPENEYE NAME: methyl 4-[(2,5-dimethylpyrazol-3-yl)amino]-2,5-dihydrothiophene-3-carboxylate
CAS Name: 4-[(2,5-dimethyl-3-pyrazolyl)amino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4-[(2,5-dimethylpyrazol-3-yl)amino]-2,5-dihydrothiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4-[(2,5-dimethylpyrazol-3-yl)amino]-2,5-dihydrothiophene-3-carboxylate
MOLECULAR FORMULA: C11H15N3O2S
MOLECULAR WEIGHT: 253.3207
SMILES: CC1=NN(C(=C1)NC2=C(CSC2)C(=O)OC)C
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Product OPENEYE NAME: 2-(4-fluorophenyl)sulfanyl-N-[2-(2-furylmethylsulfanyl)ethyl]acetamide
CAS Name: 2-[(4-fluorophenyl)thio]-N-[2-(2-furanylmethylthio)ethyl]acetamide
IUPAC NAME: 2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SYSTEMATIC NAME: 2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamide
MOLECULAR FORMULA: C15H16FNO2S2
MOLECULAR WEIGHT: 325.421443
SMILES: C1=COC(=C1)CSCCNC(=O)CSC2=CC=C(C=C2)F
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Product OPENEYE NAME: 2-(4-chlorophenyl)sulfanyl-N-[2-(2-furylmethylsulfanyl)ethyl]acetamide
CAS Name: 2-[(4-chlorophenyl)thio]-N-[2-(2-furanylmethylthio)ethyl]acetamide
IUPAC NAME: 2-(4-chlorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamide
MOLECULAR FORMULA: C15H16ClNO2S2
MOLECULAR WEIGHT: 341.87604
SMILES: C1=COC(=C1)CSCCNC(=O)CSC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-(benzotriazol-1-yl)-N-[2-(2-furylmethylsulfanyl)ethyl]acetamide
CAS Name: 2-(1-benzotriazolyl)-N-[2-(2-furanylmethylthio)ethyl]acetamide
IUPAC NAME: 2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SYSTEMATIC NAME: 2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamide
MOLECULAR FORMULA: C15H16N4O2S
MOLECULAR WEIGHT: 316.37814
SMILES: C1=CC=C2C(=C1)N=NN2CC(=O)NCCSCC3=CC=CO3
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Product OPENEYE NAME: N-[2-(2-furylmethylsulfanyl)ethyl]-2-(2-thienylsulfanyl)acetamide
CAS Name: N-[2-(2-furanylmethylthio)ethyl]-2-(thiophen-2-ylthio)acetamide
IUPAC NAME: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-thiophen-2-ylsulfanylacetamide
SYSTEMATIC NAME: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-thiophen-2-ylsulfanyl-ethanamide
MOLECULAR FORMULA: C13H15NO2S3
MOLECULAR WEIGHT: 313.4587
SMILES: C1=COC(=C1)CSCCNC(=O)CSC2=CC=CS2
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Product OPENEYE NAME: 3-thiazol-2-yl-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CAS Name: 3-(2-thiazolyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
IUPAC NAME: 3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SYSTEMATIC NAME: 3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
MOLECULAR FORMULA: C7H6F3N3OS
MOLECULAR WEIGHT: 237.20225
SMILES: C1C(=NNC1(C(F)(F)F)O)C2=NC=CS2
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Product OPENEYE NAME: 1-(4-benzyloxyphenyl)-3-indan-2-yl-urea
CAS Name: 1-(2,3-dihydro-1H-inden-2-yl)-3-(4-phenylmethoxyphenyl)urea
IUPAC NAME: 1-(2,3-dihydro-1H-inden-2-yl)-3-(4-phenylmethoxyphenyl)urea
SYSTEMATIC NAME: 1-(2,3-dihydro-1H-inden-2-yl)-3-(4-phenylmethoxyphenyl)urea
MOLECULAR FORMULA: C23H22N2O2
MOLECULAR WEIGHT: 358.43298
SMILES: C1C(CC2=CC=CC=C21)NC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4
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Product OPENEYE NAME: 1-butyl-3-indan-2-yl-urea
CAS Name: 1-butyl-3-(2,3-dihydro-1H-inden-2-yl)urea
IUPAC NAME: 1-butyl-3-(2,3-dihydro-1H-inden-2-yl)urea
SYSTEMATIC NAME: 1-butyl-3-(2,3-dihydro-1H-inden-2-yl)urea
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: CCCCNC(=O)NC1CC2=CC=CC=C2C1
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Product OPENEYE NAME: 1-(4-tert-butylphenyl)-3-indan-2-yl-urea
CAS Name: 1-(4-tert-butylphenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
IUPAC NAME: 1-(4-tert-butylphenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
MOLECULAR FORMULA: C20H24N2O
MOLECULAR WEIGHT: 308.41736
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2CC3=CC=CC=C3C2
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Product OPENEYE NAME: 1-(4-butylphenyl)-3-indan-2-yl-urea
CAS Name: 1-(4-butylphenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
IUPAC NAME: 1-(4-butylphenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
SYSTEMATIC NAME: 1-(4-butylphenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
MOLECULAR FORMULA: C20H24N2O
MOLECULAR WEIGHT: 308.41736
SMILES: CCCCC1=CC=C(C=C1)NC(=O)NC2CC3=CC=CC=C3C2
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Product OPENEYE NAME: 1-indan-2-yl-3-phenyl-urea
CAS Name: 1-(2,3-dihydro-1H-inden-2-yl)-3-phenylurea
IUPAC NAME: 1-(2,3-dihydro-1H-inden-2-yl)-3-phenylurea
SYSTEMATIC NAME: 1-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-urea
MOLECULAR FORMULA: C16H16N2O
MOLECULAR WEIGHT: 252.31104
SMILES: C1C(CC2=CC=CC=C21)NC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: 2-[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone
CAS Name: 2-[[4-methyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone
IUPAC NAME: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
SYSTEMATIC NAME: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C18H19N5O2S
MOLECULAR WEIGHT: 369.44076
SMILES: CN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC4=C(C=C3)N=CC=C4
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Product OPENEYE NAME: N-isopropyl-2-[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: 2-[[4-methyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide
IUPAC NAME: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C17H19N5OS
MOLECULAR WEIGHT: 341.43066
SMILES: CC(C)NC(=O)CSC1=NN=C(N1C)C2=CC3=C(C=C2)N=CC=C3
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Product OPENEYE NAME: N-benzyl-2-[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: 2-[[4-methyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SYSTEMATIC NAME: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C21H19N5OS
MOLECULAR WEIGHT: 389.47346
SMILES: CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=C(C=C3)N=CC=C4
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Product OPENEYE NAME: 1-(3-chloro-2-methyl-phenyl)-3-indan-2-yl-urea
CAS Name: 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
IUPAC NAME: 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
SYSTEMATIC NAME: 1-(3-chloranyl-2-methyl-phenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
MOLECULAR FORMULA: C17H17ClN2O
MOLECULAR WEIGHT: 300.78268
SMILES: CC1=C(C=CC=C1Cl)NC(=O)NC2CC3=CC=CC=C3C2
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