Thursday, June 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 2-methyl-3-thioxo-1,2,4-triazaspiro[4.5]decane-4-carboxylate
CAS Name: 2-methyl-3-sulfanylidene-1,2,4-triazaspiro[4.5]decane-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-methyl-3-sulfanylidene-1,2,4-triazaspiro[4.5]decane-4-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-3-sulfanylidene-1,2,4-triazaspiro[4.5]decane-4-carboxylate
MOLECULAR FORMULA: C11H19N3O2S
MOLECULAR WEIGHT: 257.35246
SMILES: CCOC(=O)N1C(=S)N(NC12CCCCC2)C
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Product OPENEYE NAME: 9-(2-methylallyl)-3-phenyl-7-(p-tolyl)-6,7,9-triazaspiro[4.4]non-3-ene-8-thione
CAS Name: 7-(4-methylphenyl)-9-(2-methylprop-2-enyl)-3-phenyl-6,7,9-triazaspiro[4.4]non-3-ene-8-thione
IUPAC NAME: 7-(4-methylphenyl)-9-(2-methylprop-2-enyl)-3-phenyl-6,7,9-triazaspiro[4.4]non-3-ene-8-thione
SYSTEMATIC NAME: 7-(4-methylphenyl)-9-(2-methylprop-2-enyl)-3-phenyl-6,7,9-triazaspiro[4.4]non-3-ene-8-thione
MOLECULAR FORMULA: C23H25N3S
MOLECULAR WEIGHT: 375.5297
SMILES: CC1=CC=C(C=C1)N2C(=S)N(C3(N2)CCC(=C3)C4=CC=CC=C4)CC(=C)C
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Product OPENEYE NAME: ethyl 2-methyl-3-thioxo-1,2,4-triazaspiro[4.6]undecane-4-carboxylate
CAS Name: 2-methyl-3-sulfanylidene-1,2,4-triazaspiro[4.6]undecane-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-methyl-3-sulfanylidene-1,2,4-triazaspiro[4.6]undecane-4-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-3-sulfanylidene-1,2,4-triazaspiro[4.6]undecane-4-carboxylate
MOLECULAR FORMULA: C12H21N3O2S
MOLECULAR WEIGHT: 271.37904
SMILES: CCOC(=O)N1C(=S)N(NC12CCCCCC2)C
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Product OPENEYE NAME: 1-(3,3-dimethyl-1-phenyl-5-thioxo-1,2,4-triazolidin-4-yl)ethanone
CAS Name: 1-(3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-4-yl)ethanone
IUPAC NAME: 1-(3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-4-yl)ethanone
SYSTEMATIC NAME: 1-(3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-4-yl)ethanone
MOLECULAR FORMULA: C12H15N3OS
MOLECULAR WEIGHT: 249.332
SMILES: CC(=O)N1C(=S)N(NC1(C)C)C2=CC=CC=C2
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Product OPENEYE NAME: ethyl 3-(ethoxycarbonylamino)-1-methyl-5-thioxo-1,2,4-triazole-4-carboxylate
CAS Name: 3-(ethoxycarbonylamino)-1-methyl-5-sulfanylidene-1,2,4-triazole-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(ethoxycarbonylamino)-1-methyl-5-sulfanylidene-1,2,4-triazole-4-carboxylate
SYSTEMATIC NAME: ethyl 3-(ethoxycarbonylamino)-1-methyl-5-sulfanylidene-1,2,4-triazole-4-carboxylate
MOLECULAR FORMULA: C9H14N4O4S
MOLECULAR WEIGHT: 274.29686
SMILES: CCOC(=O)NC1=NN(C(=S)N1C(=O)OCC)C
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Product OPENEYE NAME: 5-methyl-4-(2-methylallyl)-2-(p-tolyl)-5-(2-pyridyl)-1,2,4-triazolidine-3-thione
CAS Name: 5-methyl-2-(4-methylphenyl)-4-(2-methylprop-2-enyl)-5-(2-pyridinyl)-1,2,4-triazolidine-3-thione
IUPAC NAME: 5-methyl-2-(4-methylphenyl)-4-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,2,4-triazolidine-3-thione
SYSTEMATIC NAME: 5-methyl-2-(4-methylphenyl)-4-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,2,4-triazolidine-3-thione
MOLECULAR FORMULA: C19H22N4S
MOLECULAR WEIGHT: 338.46978
SMILES: CC1=CC=C(C=C1)N2C(=S)N(C(N2)(C)C3=CC=CC=N3)CC(=C)C
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Product OPENEYE NAME: 5-methyl-4-(2-methylallyl)-2-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazolidine-3-thione
CAS Name: 5-methyl-2-(4-methylphenyl)-4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazolidine-3-thione
IUPAC NAME: 5-methyl-2-(4-methylphenyl)-4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazolidine-3-thione
SYSTEMATIC NAME: 5-methyl-2-(4-methylphenyl)-4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazolidine-3-thione
MOLECULAR FORMULA: C19H22N4S
MOLECULAR WEIGHT: 338.46978
SMILES: CC1=CC=C(C=C1)N2C(=S)N(C(N2)(C)C3=CC=NC=C3)CC(=C)C
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Product OPENEYE NAME: 2,5-dimethyl-4-(2-methylallyl)-5-(4-pyridyl)-1,2,4-triazolidine-3-thione
CAS Name: 2,5-dimethyl-4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazolidine-3-thione
IUPAC NAME: 2,5-dimethyl-4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazolidine-3-thione
SYSTEMATIC NAME: 2,5-dimethyl-4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazolidine-3-thione
MOLECULAR FORMULA: C13H18N4S
MOLECULAR WEIGHT: 262.37382
SMILES: CC(=C)CN1C(=S)N(NC1(C)C2=CC=NC=C2)C
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Product OPENEYE NAME: 2,4,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
CAS Name: 2,4,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
IUPAC NAME: 2,4,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
SYSTEMATIC NAME: 2,4,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
MOLECULAR FORMULA: C10H19N3S
MOLECULAR WEIGHT: 213.34296
SMILES: CC1CCCC2(C1)NN(C(=S)N2C)C
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Product OPENEYE NAME: 2,4,8-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
CAS Name: 2,4,8-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
IUPAC NAME: 2,4,8-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
SYSTEMATIC NAME: 2,4,8-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
MOLECULAR FORMULA: C10H19N3S
MOLECULAR WEIGHT: 213.34296
SMILES: CC1CCC2(CC1)NN(C(=S)N2C)C
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Product OPENEYE NAME: ethyl 7-phenyl-8-thioxo-6,7,9-triazaspiro[4.4]nonane-9-carboxylate
CAS Name: 7-phenyl-8-sulfanylidene-6,7,9-triazaspiro[4.4]nonane-9-carboxylic acid ethyl ester
IUPAC NAME: ethyl 7-phenyl-8-sulfanylidene-6,7,9-triazaspiro[4.4]nonane-9-carboxylate
SYSTEMATIC NAME: ethyl 7-phenyl-8-sulfanylidene-6,7,9-triazaspiro[4.4]nonane-9-carboxylate
MOLECULAR FORMULA: C15H19N3O2S
MOLECULAR WEIGHT: 305.39526
SMILES: CCOC(=O)N1C(=S)N(NC12CCCC2)C3=CC=CC=C3
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Product OPENEYE NAME: 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-thiochromene-3-carboxylic acid
CAS Name: 6,8-difluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-benzothiopyran-3-carboxylic acid
IUPAC NAME: 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxothiochromene-3-carboxylic acid
SYSTEMATIC NAME: 6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-thiochromene-3-carboxylic acid
MOLECULAR FORMULA: C15H14F2N2O3S
MOLECULAR WEIGHT: 340.345066
SMILES: CN1CCN(CC1)C2=C(C=C3C(=C2F)SC=C(C3=O)C(=O)O)F
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Product OPENEYE NAME: 6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-thiochromene-3-carboxylic acid
CAS Name: 6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-1-benzothiopyran-3-carboxylic acid
IUPAC NAME: 6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxothiochromene-3-carboxylic acid
SYSTEMATIC NAME: 6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-thiochromene-3-carboxylic acid
MOLECULAR FORMULA: C15H14F2N2O3S
MOLECULAR WEIGHT: 340.345066
SMILES: CC1CN(CCN1)C2=C(C=C3C(=C2F)SC=C(C3=O)C(=O)O)F
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Product OPENEYE NAME: 7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-thiochromene-3-carboxylic acid
CAS Name: 7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-4-oxo-1-benzothiopyran-3-carboxylic acid
IUPAC NAME: 7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxothiochromene-3-carboxylic acid
SYSTEMATIC NAME: 7-(3,5-dimethylpiperazin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-thiochromene-3-carboxylic acid
MOLECULAR FORMULA: C16H16F2N2O3S
MOLECULAR WEIGHT: 354.371646
SMILES: CC1CN(CC(N1)C)C2=C(C=C3C(=C2F)SC=C(C3=O)C(=O)O)F
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Product OPENEYE NAME: 6,7,8-trifluorothiochromeno[3,2-d]isothiazole-3,4-dione
CAS Name: 6,7,8-trifluorothiochromeno[3,2-d]isothiazole-3,4-dione
IUPAC NAME: 6,7,8-trifluorothiochromeno[3,2-d][1,2]thiazole-3,4-dione
SYSTEMATIC NAME: 6,7,8-tris(fluoranyl)thiochromeno[3,2-d][1,2]thiazole-3,4-dione
MOLECULAR FORMULA: C10H2F3NO2S2
MOLECULAR WEIGHT: 289.25359
SMILES: C1=C2C(=C(C(=C1F)F)F)SC3=C(C2=O)C(=O)NS3
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Product OPENEYE NAME: 6,8-difluoro-7-(4-methylpiperazin-1-yl)thiochromeno[3,2-d]isothiazole-3,4-dione
CAS Name: 6,8-difluoro-7-(4-methyl-1-piperazinyl)thiochromeno[3,2-d]isothiazole-3,4-dione
IUPAC NAME: 6,8-difluoro-7-(4-methylpiperazin-1-yl)thiochromeno[3,2-d][1,2]thiazole-3,4-dione
SYSTEMATIC NAME: 6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)thiochromeno[3,2-d][1,2]thiazole-3,4-dione
MOLECULAR FORMULA: C15H13F2N3O2S2
MOLECULAR WEIGHT: 369.409426
SMILES: CN1CCN(CC1)C2=C(C=C3C(=C2F)SC4=C(C3=O)C(=O)NS4)F
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Product OPENEYE NAME: 6,8-difluoro-7-(3-methylpiperazin-1-yl)thiochromeno[3,2-d]isothiazole-3,4-dione
CAS Name: 6,8-difluoro-7-(3-methyl-1-piperazinyl)thiochromeno[3,2-d]isothiazole-3,4-dione
IUPAC NAME: 6,8-difluoro-7-(3-methylpiperazin-1-yl)thiochromeno[3,2-d][1,2]thiazole-3,4-dione
SYSTEMATIC NAME: 6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)thiochromeno[3,2-d][1,2]thiazole-3,4-dione
MOLECULAR FORMULA: C15H13F2N3O2S2
MOLECULAR WEIGHT: 369.409426
SMILES: CC1CN(CCN1)C2=C(C=C3C(=C2F)SC4=C(C3=O)C(=O)NS4)F
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Product OPENEYE NAME: 7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-thiochromeno[3,2-d]isothiazole-3,4-dione
CAS Name: 7-(3,5-dimethyl-1-piperazinyl)-6,8-difluorothiochromeno[3,2-d]isothiazole-3,4-dione
IUPAC NAME: 7-(3,5-dimethylpiperazin-1-yl)-6,8-difluorothiochromeno[3,2-d][1,2]thiazole-3,4-dione
SYSTEMATIC NAME: 7-(3,5-dimethylpiperazin-1-yl)-6,8-bis(fluoranyl)thiochromeno[3,2-d][1,2]thiazole-3,4-dione
MOLECULAR FORMULA: C16H15F2N3O2S2
MOLECULAR WEIGHT: 383.436006
SMILES: CC1CN(CC(N1)C)C2=C(C=C3C(=C2F)SC4=C(C3=O)C(=O)NS4)F
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