Saturday, February 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-propanamide
CAS Name: 2-[(2,4-dimethylphenyl)thio]-N-methylpropanamide
IUPAC NAME: 2-(2,4-dimethylphenyl)sulfanyl-N-methylpropanamide
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-propanamide
MOLECULAR FORMULA: C12H17NOS
MOLECULAR WEIGHT: 223.33448
SMILES: CC1=CC(=C(C=C1)SC(C)C(=O)NC)C
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Product OPENEYE NAME: 2-(3,4-dimethylphenyl)sulfanyl-N-methyl-propanamide
CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-methylpropanamide
IUPAC NAME: 2-(3,4-dimethylphenyl)sulfanyl-N-methylpropanamide
SYSTEMATIC NAME: 2-(3,4-dimethylphenyl)sulfanyl-N-methyl-propanamide
MOLECULAR FORMULA: C12H17NOS
MOLECULAR WEIGHT: 223.33448
SMILES: CC1=C(C=C(C=C1)SC(C)C(=O)NC)C
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Product OPENEYE NAME: 2-(4-fluorophenyl)sulfanyl-N-methyl-propanamide
CAS Name: 2-[(4-fluorophenyl)thio]-N-methylpropanamide
IUPAC NAME: 2-(4-fluorophenyl)sulfanyl-N-methylpropanamide
SYSTEMATIC NAME: 2-(4-fluorophenyl)sulfanyl-N-methyl-propanamide
MOLECULAR FORMULA: C10H12FNOS
MOLECULAR WEIGHT: 213.271783
SMILES: CC(C(=O)NC)SC1=CC=C(C=C1)F
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Product OPENEYE NAME: 2-[3-(3-methylphenoxy)propylsulfanyl]-1,3,4-thiadiazole
CAS Name: 2-[3-(3-methylphenoxy)propylthio]-1,3,4-thiadiazole
IUPAC NAME: 2-[3-(3-methylphenoxy)propylsulfanyl]-1,3,4-thiadiazole
SYSTEMATIC NAME: 2-[3-(3-methylphenoxy)propylsulfanyl]-1,3,4-thiadiazole
MOLECULAR FORMULA: C12H14N2OS2
MOLECULAR WEIGHT: 266.38236
SMILES: CC1=CC(=CC=C1)OCCCSC2=NN=CS2
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Product OPENEYE NAME: 7-[(1-butyltetrazol-5-yl)methyl]-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
CAS Name: 7-[(1-butyl-5-tetrazolyl)methyl]-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
IUPAC NAME: 7-[(1-butyltetrazol-5-yl)methyl]-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
SYSTEMATIC NAME: 7-[(1-butyl-1,2,3,4-tetrazol-5-yl)methyl]-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
MOLECULAR FORMULA: C12H18N6O2S
MOLECULAR WEIGHT: 310.37532
SMILES: CCCCN1C(=NN=N1)CN2C(=O)C3(CCSC3)NC2=O
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Product OPENEYE NAME: 7-[(1-phenyltetrazol-5-yl)methyl]-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
CAS Name: 7-[(1-phenyl-5-tetrazolyl)methyl]-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
IUPAC NAME: 7-[(1-phenyltetrazol-5-yl)methyl]-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
SYSTEMATIC NAME: 7-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
MOLECULAR FORMULA: C14H14N6O2S
MOLECULAR WEIGHT: 330.36496
SMILES: C1CSCC12C(=O)N(C(=O)N2)CC3=NN=NN3C4=CC=CC=C4
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Product OPENEYE NAME: 1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-isopropyl-imidazolidine-2,4,5-trione
CAS Name: 1-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
IUPAC NAME: 1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SYSTEMATIC NAME: 1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-yl-imidazolidine-2,4,5-trione
MOLECULAR FORMULA: C18H20N4O3
MOLECULAR WEIGHT: 340.3764
SMILES: CC1=CC(=NN1C2=CC=C(C=C2)CN3C(=O)C(=O)N(C3=O)C(C)C)C
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Product OPENEYE NAME: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N,N-dimethyl-2-phenyl-acetamide
CAS Name: 2-[5-(3-fluorophenyl)-2-tetrazolyl]-N,N-dimethyl-2-phenylacetamide
IUPAC NAME: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N,N-dimethyl-2-phenylacetamide
SYSTEMATIC NAME: 2-[5-(3-fluorophenyl)-1,2,3,4-tetrazol-2-yl]-N,N-dimethyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C17H16FN5O
MOLECULAR WEIGHT: 325.340243
SMILES: CN(C)C(=O)C(C1=CC=CC=C1)N2N=C(N=N2)C3=CC(=CC=C3)F
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Product OPENEYE NAME: 2-(5-bromo-2-oxo-1-pyridyl)-N-(2-furylmethyl)-N-methyl-acetamide
CAS Name: 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-furanylmethyl)-N-methylacetamide
IUPAC NAME: 2-(5-bromo-2-oxopyridin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
SYSTEMATIC NAME: 2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)-N-(furan-2-ylmethyl)-N-methyl-ethanamide
MOLECULAR FORMULA: C13H13BrN2O3
MOLECULAR WEIGHT: 325.15792
SMILES: CN(CC1=CC=CO1)C(=O)CN2C=C(C=CC2=O)Br
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Product OPENEYE NAME: 3-cyclopropyl-4-ethyl-5-isobutylsulfanyl-1,2,4-triazole
CAS Name: 3-cyclopropyl-4-ethyl-5-(2-methylpropylthio)-1,2,4-triazole
IUPAC NAME: 3-cyclopropyl-4-ethyl-5-(2-methylpropylsulfanyl)-1,2,4-triazole
SYSTEMATIC NAME: 3-cyclopropyl-4-ethyl-5-(2-methylpropylsulfanyl)-1,2,4-triazole
MOLECULAR FORMULA: C11H19N3S
MOLECULAR WEIGHT: 225.35366
SMILES: CCN1C(=NN=C1SCC(C)C)C2CC2
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Product OPENEYE NAME: 3-cyclopropyl-4-ethyl-5-(2-methylallylsulfanyl)-1,2,4-triazole
CAS Name: 3-cyclopropyl-4-ethyl-5-(2-methylprop-2-enylthio)-1,2,4-triazole
IUPAC NAME: 3-cyclopropyl-4-ethyl-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole
SYSTEMATIC NAME: 3-cyclopropyl-4-ethyl-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole
MOLECULAR FORMULA: C11H17N3S
MOLECULAR WEIGHT: 223.33778
SMILES: CCN1C(=NN=C1SCC(=C)C)C2CC2
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Product OPENEYE NAME: 2-(2,4-difluorophenyl)sulfanyl-N-(tetrahydrofuran-2-ylmethyl)acetamide
CAS Name: 2-[(2,4-difluorophenyl)thio]-N-(2-oxolanylmethyl)acetamide
IUPAC NAME: 2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-(oxolan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C13H15F2NO2S
MOLECULAR WEIGHT: 287.325506
SMILES: C1CC(OC1)CNC(=O)CSC2=C(C=C(C=C2)F)F
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Product OPENEYE NAME: (2-oxotetrahydrofuran-3-yl) 2-[2-(2-thienyl)thiazol-4-yl]acetate
CAS Name: 2-(2-thiophen-2-yl-4-thiazolyl)acetic acid (2-oxo-3-oxolanyl) ester
IUPAC NAME: (2-oxooxolan-3-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SYSTEMATIC NAME: (2-oxidanylideneoxolan-3-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanoate
MOLECULAR FORMULA: C13H11NO4S2
MOLECULAR WEIGHT: 309.36074
SMILES: C1COC(=O)C1OC(=O)CC2=CSC(=N2)C3=CC=CS3
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Product OPENEYE NAME: 2-(2,5-difluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CAS Name: 2-[(2,5-difluorophenyl)thio]-N-(2-methoxyethyl)acetamide
IUPAC NAME: 2-(2,5-difluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
SYSTEMATIC NAME: 2-[2,5-bis(fluoranyl)phenyl]sulfanyl-N-(2-methoxyethyl)ethanamide
MOLECULAR FORMULA: C11H13F2NO2S
MOLECULAR WEIGHT: 261.288226
SMILES: COCCNC(=O)CSC1=C(C=CC(=C1)F)F
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Product OPENEYE NAME: 4-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)morpholine
CAS Name: 4-[5-(methylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]morpholine
IUPAC NAME: 4-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)morpholine
SYSTEMATIC NAME: 4-[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]morpholine
MOLECULAR FORMULA: C14H18N4OS
MOLECULAR WEIGHT: 290.38392
SMILES: CSC1=NN=C(N1CC2=CC=CC=C2)N3CCOCC3
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Product OPENEYE NAME: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone
CAS Name: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone
IUPAC NAME: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
SYSTEMATIC NAME: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone
MOLECULAR FORMULA: C15H18N4OS2
MOLECULAR WEIGHT: 334.45962
SMILES: CNC1=NN=C(S1)SC(C2=CC=CC=C2)C(=O)N3CCCC3
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Product OPENEYE NAME: 2-[[5-(3-amino-3-oxo-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CAS Name: 2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanamide
IUPAC NAME: 2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SYSTEMATIC NAME: 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
MOLECULAR FORMULA: C9H15N5O2S
MOLECULAR WEIGHT: 257.3127
SMILES: CC(C(=O)N)SC1=NN=C(N1C)CCC(=O)N
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Product OPENEYE NAME: 3-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[5-(cyclohexylmethylthio)-4-methyl-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C13H22N4OS
MOLECULAR WEIGHT: 282.40498
SMILES: CN1C(=NN=C1SCC2CCCCC2)CCC(=O)N
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Product OPENEYE NAME: 3-[5-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[5-[1-(4-fluorophenyl)ethylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[5-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[5-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C14H17FN4OS
MOLECULAR WEIGHT: 308.374383
SMILES: CC(C1=CC=C(C=C1)F)SC2=NN=C(N2C)CCC(=O)N
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Product OPENEYE NAME: 2-(3,4-difluorophenyl)sulfanyl-N-(2-methoxy-1-methyl-ethyl)acetamide
CAS Name: 2-[(3,4-difluorophenyl)thio]-N-(1-methoxypropan-2-yl)acetamide
IUPAC NAME: 2-(3,4-difluorophenyl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
SYSTEMATIC NAME: 2-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)ethanamide
MOLECULAR FORMULA: C12H15F2NO2S
MOLECULAR WEIGHT: 275.314806
SMILES: CC(COC)NC(=O)CSC1=CC(=C(C=C1)F)F
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Product OPENEYE NAME: N-cyclopropyl-2-(3,4-difluorophenyl)sulfanyl-propanamide
CAS Name: N-cyclopropyl-2-[(3,4-difluorophenyl)thio]propanamide
IUPAC NAME: N-cyclopropyl-2-(3,4-difluorophenyl)sulfanylpropanamide
SYSTEMATIC NAME: 2-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-cyclopropyl-propanamide
MOLECULAR FORMULA: C12H13F2NOS
MOLECULAR WEIGHT: 257.299526
SMILES: CC(C(=O)NC1CC1)SC2=CC(=C(C=C2)F)F
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Product OPENEYE NAME: 1-morpholino-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CAS Name: 1-(4-morpholinyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propanol
IUPAC NAME: 1-morpholin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-morpholin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
MOLECULAR FORMULA: C15H25N5O2
MOLECULAR WEIGHT: 307.3913
SMILES: C1CN(CCN1CC(CN2CCOCC2)O)C3=NC=CC=N3
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Product OPENEYE NAME: 4-[2-(4-chlorophenoxy)ethyl-methyl-amino]-1,1-dioxo-thiolan-3-ol
CAS Name: 4-[2-(4-chlorophenoxy)ethyl-methylamino]-1,1-dioxo-3-thiolanol
IUPAC NAME: 4-[2-(4-chlorophenoxy)ethyl-methylamino]-1,1-dioxothiolan-3-ol
SYSTEMATIC NAME: 4-[2-(4-chloranylphenoxy)ethyl-methyl-amino]-1,1-bis(oxidanylidene)thiolan-3-ol
MOLECULAR FORMULA: C13H18ClNO4S
MOLECULAR WEIGHT: 319.80432
SMILES: CN(CCOC1=CC=C(C=C1)Cl)C2CS(=O)(=O)CC2O
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