Monday, October 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H13F3N4O2S2
MOLECULAR WEIGHT: 450.45733
SMILES: CC1=CC(=NC2=C1C3=C(S2)C(=O)SC(=N3)NC(=O)C4=C(N=C(C=C4)C(F)(F)F)C)C
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-yl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanyl-ethanone
CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[1-[4-(dimethylamino)phenyl]-5-tetrazolyl]thio]ethanone
IUPAC NAME: 1-(1,3-benzodioxol-5-yl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylethanone
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2-[[1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C18H17N5O3S
MOLECULAR WEIGHT: 383.42428
SMILES: CN(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanyl-N-(4-isopropylphenyl)acetamide
CAS Name: 2-[[1-[4-(dimethylamino)phenyl]-5-tetrazolyl]thio]-N-(4-propan-2-ylphenyl)acetamide
IUPAC NAME: 2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
SYSTEMATIC NAME: 2-[[1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide
MOLECULAR FORMULA: C20H24N6OS
MOLECULAR WEIGHT: 396.50916
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)N(C)C
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Product OPENEYE NAME: 2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[[1-[4-(dimethylamino)phenyl]-5-tetrazolyl]thio]-N-[4-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[[1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C18H17F3N6OS
MOLECULAR WEIGHT: 422.42739
SMILES: CN(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanyl-acetamide
CAS Name: N-(2-chlorophenyl)-2-[[1-[4-(dimethylamino)phenyl]-5-tetrazolyl]thio]acetamide
IUPAC NAME: N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[[1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C17H17ClN6OS
MOLECULAR WEIGHT: 388.87448
SMILES: CN(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl
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Product OPENEYE NAME: 2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanyl-1-phenyl-ethanone
CAS Name: 2-[[1-[4-(dimethylamino)phenyl]-5-tetrazolyl]thio]-1-phenylethanone
IUPAC NAME: 2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanyl-1-phenylethanone
SYSTEMATIC NAME: 2-[[1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-phenyl-ethanone
MOLECULAR FORMULA: C17H17N5OS
MOLECULAR WEIGHT: 339.41478
SMILES: CN(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-ethanone
CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]ethanone
IUPAC NAME: 1-(1,3-benzodioxol-5-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C16H12N4O4S
MOLECULAR WEIGHT: 356.35588
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=NN3C4=CC=C(C=C4)O
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Product OPENEYE NAME: 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(3-nitrophenyl)ethanone
CAS Name: 2-[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]-1-(3-nitrophenyl)ethanone
IUPAC NAME: 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(3-nitrophenyl)ethanone
SYSTEMATIC NAME: 2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(3-nitrophenyl)ethanone
MOLECULAR FORMULA: C15H11N5O4S
MOLECULAR WEIGHT: 357.34394
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NN=NN2C3=CC=C(C=C3)O
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Product OPENEYE NAME: 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-isopropylphenyl)acetamide
CAS Name: 2-[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]-N-(4-propan-2-ylphenyl)acetamide
IUPAC NAME: 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
SYSTEMATIC NAME: 2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide
MOLECULAR FORMULA: C18H19N5O2S
MOLECULAR WEIGHT: 369.44076
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)O
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Product OPENEYE NAME: N-(2-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-acetamide
CAS Name: N-(2-chlorophenyl)-2-[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]acetamide
IUPAC NAME: N-(2-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C15H12ClN5O2S
MOLECULAR WEIGHT: 361.80608
SMILES: C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)O)Cl
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Product OPENEYE NAME: 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]-N-[4-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C16H12F3N5O2S
MOLECULAR WEIGHT: 395.35899
SMILES: C1=CC(=CC=C1C(F)(F)F)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)O
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Product OPENEYE NAME: 1-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-ethanone
CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-2-[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]ethanone
IUPAC NAME: 1-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
SYSTEMATIC NAME: 1-[3,5-bis(trifluoromethyl)phenyl]-2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C17H10F6N4O2S
MOLECULAR WEIGHT: 448.342319
SMILES: C1=CC(=CC=C1N2C(=NN=N2)SCC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O
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Product OPENEYE NAME: [4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(4-methylthiadiazol-5-yl)methanone
CAS Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(4-methyl-5-thiadiazolyl)methanone
IUPAC NAME: [4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(4-methylthiadiazol-5-yl)methanone
SYSTEMATIC NAME: [4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(4-methyl-1,2,3-thiadiazol-5-yl)methanone
MOLECULAR FORMULA: C16H16ClN5OS2
MOLECULAR WEIGHT: 393.91414
SMILES: CC1=C(SN=N1)C(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiadiazole-5-carboxamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-5-thiadiazolecarboxamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-4-methylthiadiazole-5-carboxamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
MOLECULAR FORMULA: C12H11N3O3S
MOLECULAR WEIGHT: 277.29904
SMILES: CC1=C(SN=N1)C(=O)NCC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: N-indan-2-yl-4-methyl-thiadiazole-5-carboxamide
CAS Name: N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-5-thiadiazolecarboxamide
IUPAC NAME: N-(2,3-dihydro-1H-inden-2-yl)-4-methylthiadiazole-5-carboxamide
SYSTEMATIC NAME: N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
MOLECULAR FORMULA: C13H13N3OS
MOLECULAR WEIGHT: 259.32682
SMILES: CC1=C(SN=N1)C(=O)NC2CC3=CC=CC=C3C2
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Product OPENEYE NAME: N-(1-benzyl-4-piperidyl)-4-methyl-thiadiazole-5-carboxamide
CAS Name: 4-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-5-thiadiazolecarboxamide
IUPAC NAME: N-(1-benzylpiperidin-4-yl)-4-methylthiadiazole-5-carboxamide
SYSTEMATIC NAME: 4-methyl-N-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-thiadiazole-5-carboxamide
MOLECULAR FORMULA: C16H20N4OS
MOLECULAR WEIGHT: 316.4212
SMILES: CC1=C(SN=N1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid
CAS Name: 2-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]acetic acid
IUPAC NAME: 2-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C15H18ClFN2O3S
MOLECULAR WEIGHT: 360.831423
SMILES: C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CSCC(=O)O
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