Saturday, November 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C18H18F3N7O3S
MOLECULAR WEIGHT: 469.44083
SMILES: CC1=C(C(=NN1CC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide
CAS Name: 2-[[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide
IUPAC NAME: 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C17H19N7O3S
MOLECULAR WEIGHT: 401.44286
SMILES: CC1=C(C(=NN1CC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3)C)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2-chlorophenyl)-2-[[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(2-chlorophenyl)-2-[[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(2-chlorophenyl)-2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C17H18ClN7O3S
MOLECULAR WEIGHT: 435.88792
SMILES: CC1=C(C(=NN1CC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3Cl)C)[N+](=O)[O-]
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Product OPENEYE NAME: phenyl N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]carbamate
CAS Name: N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]carbamic acid phenyl ester
IUPAC NAME: phenyl N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]carbamate
SYSTEMATIC NAME: phenyl N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]carbamate
MOLECULAR FORMULA: C16H10F6N2O2S
MOLECULAR WEIGHT: 408.318219
SMILES: C1=CC=C(C=C1)OC(=O)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazole
CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methyl-1,2,4-triazole
IUPAC NAME: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methyl-1,2,4-triazole
SYSTEMATIC NAME: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazole
MOLECULAR FORMULA: C16H16ClFN6O2S
MOLECULAR WEIGHT: 410.853643
SMILES: CC1=C(C(=NN1CC2=NN=C(N2C)SCC3=C(C=CC=C3Cl)F)C)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazole
CAS Name: 3-[(2,6-dichlorophenyl)methylthio]-5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methyl-1,2,4-triazole
IUPAC NAME: 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methyl-1,2,4-triazole
SYSTEMATIC NAME: 3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazole
MOLECULAR FORMULA: C16H16Cl2N6O2S
MOLECULAR WEIGHT: 427.30824
SMILES: CC1=C(C(=NN1CC2=NN=C(N2C)SCC3=C(C=CC=C3Cl)Cl)C)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazole
CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methyl-1,2,4-triazole
IUPAC NAME: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methyl-1,2,4-triazole
SYSTEMATIC NAME: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazole
MOLECULAR FORMULA: C16H17ClN6O2S
MOLECULAR WEIGHT: 392.86318
SMILES: CC1=C(C(=NN1CC2=NN=C(N2C)SCC3=CC=C(C=C3)Cl)C)[N+](=O)[O-]
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Product OPENEYE NAME: 4-(1-piperidyl)-2-(2-thienyl)-2,3-dihydrothiopyran-6-thione
CAS Name: 4-(1-piperidinyl)-2-thiophen-2-yl-2,3-dihydrothiopyran-6-thione
IUPAC NAME: 4-piperidin-1-yl-2-thiophen-2-yl-2,3-dihydrothiopyran-6-thione
SYSTEMATIC NAME: 4-piperidin-1-yl-2-thiophen-2-yl-2,3-dihydrothiopyran-6-thione
MOLECULAR FORMULA: C14H17NS3
MOLECULAR WEIGHT: 295.48648
SMILES: C1CCN(CC1)C2=CC(=S)SC(C2)C3=CC=CS3
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Product OPENEYE NAME: 5-methyl-2-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)pyrazol-3-amine
CAS Name: 5-methyl-2-(1,3,4-trimethyl-6-pyrazolo[3,4-b]pyridinyl)-3-pyrazolamine
IUPAC NAME: 5-methyl-2-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)pyrazol-3-amine
SYSTEMATIC NAME: 5-methyl-2-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)pyrazol-3-amine
MOLECULAR FORMULA: C13H16N6
MOLECULAR WEIGHT: 256.30634
SMILES: CC1=CC(=NC2=C1C(=NN2C)C)N3C(=CC(=N3)C)N
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Product OPENEYE NAME: [4-[4-(4-chlorophenyl)thiazol-2-yl]-5-methylsulfanyl-2-thienyl]-(1-piperidyl)methanone
CAS Name: [4-[4-(4-chlorophenyl)-2-thiazolyl]-5-(methylthio)-2-thiophenyl]-(1-piperidinyl)methanone
IUPAC NAME: [4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophen-2-yl]-piperidin-1-ylmethanone
SYSTEMATIC NAME: [4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophen-2-yl]-piperidin-1-yl-methanone
MOLECULAR FORMULA: C20H19ClN2OS3
MOLECULAR WEIGHT: 435.02566
SMILES: CSC1=C(C=C(S1)C(=O)N2CCCCC2)C3=NC(=CS3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: ethyl 2,9-bis(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylate
CAS Name: 2,9-bis(methylthio)-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2,9-bis(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylate
SYSTEMATIC NAME: ethyl 2,9-bis(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylate
MOLECULAR FORMULA: C15H16N2O2S3
MOLECULAR WEIGHT: 352.49474
SMILES: CCOC(=O)C1=C2CCC3=CN=C(N=C3C2=C(S1)SC)SC
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Product OPENEYE NAME: methyl 3-[2-(1-methyl-2,2,4-trioxo-thieno[3,2-c]thiazin-3-ylidene)hydrazino]thiophene-2-carboxylate
CAS Name: 3-[2-(1-methyl-2,2,4-trioxo-3-thieno[3,2-c]thiazinylidene)hydrazinyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[2-(1-methyl-2,2,4-trioxothieno[3,2-c]thiazin-3-ylidene)hydrazinyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[2-[1-methyl-2,2,4-tris(oxidanylidene)thieno[3,2-c][1,2]thiazin-3-ylidene]hydrazinyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C13H11N3O5S3
MOLECULAR WEIGHT: 385.43854
SMILES: CN1C2=C(C(=O)C(=NNC3=C(SC=C3)C(=O)OC)S1(=O)=O)SC=C2
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Product OPENEYE NAME: methyl 3-[[(E)-(1-methyl-2,2,4-trioxo-thieno[3,2-c]thiazin-3-ylidene)methyl]amino]thiophene-2-carboxylate
CAS Name: 3-[[(E)-(1-methyl-2,2,4-trioxo-3-thieno[3,2-c]thiazinylidene)methyl]amino]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[[(E)-(1-methyl-2,2,4-trioxothieno[3,2-c]thiazin-3-ylidene)methyl]amino]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[[(E)-[1-methyl-2,2,4-tris(oxidanylidene)thieno[3,2-c][1,2]thiazin-3-ylidene]methyl]amino]thiophene-2-carboxylate
MOLECULAR FORMULA: C14H12N2O5S3
MOLECULAR WEIGHT: 384.45048
SMILES: CN1C2=C(C(=O)/C(=C\NC3=C(SC=C3)C(=O)OC)/S1(=O)=O)SC=C2
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Product OPENEYE NAME: 4-(5-bromo-2-thienyl)-2-methylsulfanyl-pyrimidine
CAS Name: 4-(5-bromo-2-thiophenyl)-2-(methylthio)pyrimidine
IUPAC NAME: 4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine
SYSTEMATIC NAME: 4-(5-bromanylthiophen-2-yl)-2-methylsulfanyl-pyrimidine
MOLECULAR FORMULA: C9H7BrN2S2
MOLECULAR WEIGHT: 287.19928
SMILES: CSC1=NC=CC(=N1)C2=CC=C(S2)Br
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Product OPENEYE NAME: ethyl 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-9-methylsulfanyl-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylate
CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-9-methylsulfanyl-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-9-methylsulfanyl-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylate
MOLECULAR FORMULA: C22H20ClN3O3S3
MOLECULAR WEIGHT: 506.0605
SMILES: CCOC(=O)C1=C2CCC3=CN=C(N=C3C2=C(S1)SC)SCC(=O)NC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 1,3-dichloro-2-(p-tolylsulfonylmethyl)benzene
CAS Name: 1,3-dichloro-2-[(4-methylphenyl)sulfonylmethyl]benzene
IUPAC NAME: 1,3-dichloro-2-[(4-methylphenyl)sulfonylmethyl]benzene
SYSTEMATIC NAME: 1,3-bis(chloranyl)-2-[(4-methylphenyl)sulfonylmethyl]benzene
MOLECULAR FORMULA: C14H12Cl2O2S
MOLECULAR WEIGHT: 315.21488
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC=C2Cl)Cl
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