Tuesday, May 14, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-[5-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[5-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[5-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[5-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C17H17ClF3N5O2S
MOLECULAR WEIGHT: 447.86239
SMILES: C1CC1N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)CCC(=O)N
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Product OPENEYE NAME: 3-[4-cyclopropyl-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[4-cyclopropyl-5-[2-(3-methylphenoxy)ethylthio]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[4-cyclopropyl-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[4-cyclopropyl-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C17H22N4O2S
MOLECULAR WEIGHT: 346.44718
SMILES: CC1=CC(=CC=C1)OCCSC2=NN=C(N2C3CC3)CCC(=O)N
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Product OPENEYE NAME: 3-[4-cyclopropyl-5-[2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[4-cyclopropyl-5-[[2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[4-cyclopropyl-5-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[4-cyclopropyl-5-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C16H20N6O4S
MOLECULAR WEIGHT: 392.4328
SMILES: C1CC1N2C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CO3)CCC(=O)N
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Product OPENEYE NAME: 3-[4-cyclopropyl-5-[(1R)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[4-cyclopropyl-5-[[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl]thio]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[4-cyclopropyl-5-[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[4-cyclopropyl-5-[(2R)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C20H26N4O2S
MOLECULAR WEIGHT: 386.51104
SMILES: CC1=CC(=C(C=C1C(=O)[C@@H](C)SC2=NN=C(N2C3CC3)CCC(=O)N)C)C
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Product OPENEYE NAME: 3-[4-cyclopropyl-5-[(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[4-cyclopropyl-5-[[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl]thio]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[4-cyclopropyl-5-[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[4-cyclopropyl-5-[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C20H26N4O2S
MOLECULAR WEIGHT: 386.51104
SMILES: CC1=CC(=C(C=C1C(=O)[C@H](C)SC2=NN=C(N2C3CC3)CCC(=O)N)C)C
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Product OPENEYE NAME: 3-[5-[(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[5-[[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[5-[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[5-[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C21H28N4O2S
MOLECULAR WEIGHT: 400.53762
SMILES: C[C@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2C3CC3)CCC(=O)N
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Product OPENEYE NAME: 3-[5-[(1S)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[5-[[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[5-[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[5-[(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C21H28N4O2S
MOLECULAR WEIGHT: 400.53762
SMILES: C[C@@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2C3CC3)CCC(=O)N
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Product OPENEYE NAME: 3-[4-cyclopropyl-5-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[4-cyclopropyl-5-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[4-cyclopropyl-5-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[4-cyclopropyl-5-[[(2R)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C23H23FN4O3S
MOLECULAR WEIGHT: 454.517123
SMILES: C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)F)CO[C@H](O4)C5=CC=CC=C5)CCC(=O)N
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Product OPENEYE NAME: 3-[4-cyclopropyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[4-cyclopropyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[4-cyclopropyl-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[4-cyclopropyl-5-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C23H23FN4O3S
MOLECULAR WEIGHT: 454.517123
SMILES: C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)F)CO[C@@H](O4)C5=CC=CC=C5)CCC(=O)N
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Product OPENEYE NAME: (2R)-2-[[5-(3-amino-3-oxo-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide
CAS Name: (2R)-2-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-[(cyclopropylamino)-oxomethyl]propanamide
IUPAC NAME: (2R)-2-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide
SYSTEMATIC NAME: (2R)-2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide
MOLECULAR FORMULA: C15H22N6O3S
MOLECULAR WEIGHT: 366.43858
SMILES: C[C@H](C(=O)NC(=O)NC1CC1)SC2=NN=C(N2C3CC3)CCC(=O)N
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Product OPENEYE NAME: (2S)-2-[[5-(3-amino-3-oxo-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide
CAS Name: (2S)-2-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-[(cyclopropylamino)-oxomethyl]propanamide
IUPAC NAME: (2S)-2-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide
SYSTEMATIC NAME: (2S)-2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide
MOLECULAR FORMULA: C15H22N6O3S
MOLECULAR WEIGHT: 366.43858
SMILES: C[C@@H](C(=O)NC(=O)NC1CC1)SC2=NN=C(N2C3CC3)CCC(=O)N
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Product OPENEYE NAME: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[5-[(4-bromophenyl)methylthio]-4-[[(2S)-2-oxolanyl]methyl]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C17H21BrN4O2S
MOLECULAR WEIGHT: 425.34324
SMILES: C1C[C@H](OC1)CN2C(=NN=C2SCC3=CC=C(C=C3)Br)CCC(=O)N
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Product OPENEYE NAME: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[5-[(4-bromophenyl)methylthio]-4-[[(2R)-2-oxolanyl]methyl]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C17H21BrN4O2S
MOLECULAR WEIGHT: 425.34324
SMILES: C1C[C@@H](OC1)CN2C(=NN=C2SCC3=CC=C(C=C3)Br)CCC(=O)N
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Product OPENEYE NAME: 3-[5-[(3-chlorophenyl)methylsulfanyl]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[5-[(3-chlorophenyl)methylthio]-4-[[(2S)-2-oxolanyl]methyl]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[5-[(3-chlorophenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[5-[(3-chlorophenyl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C17H21ClN4O2S
MOLECULAR WEIGHT: 380.89224
SMILES: C1C[C@H](OC1)CN2C(=NN=C2SCC3=CC(=CC=C3)Cl)CCC(=O)N
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Product OPENEYE NAME: 3-[5-[(3-chlorophenyl)methylsulfanyl]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[5-[(3-chlorophenyl)methylthio]-4-[[(2R)-2-oxolanyl]methyl]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[5-[(3-chlorophenyl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[5-[(3-chlorophenyl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C17H21ClN4O2S
MOLECULAR WEIGHT: 380.89224
SMILES: C1C[C@@H](OC1)CN2C(=NN=C2SCC3=CC(=CC=C3)Cl)CCC(=O)N
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Product OPENEYE NAME: 3-[5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-[[(2S)-2-oxolanyl]methyl]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C20H24N6O4S
MOLECULAR WEIGHT: 444.50736
SMILES: COC1=CC=CC=C1C2=NOC(=N2)CSC3=NN=C(N3C[C@@H]4CCCO4)CCC(=O)N
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Product OPENEYE NAME: 3-[5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-[[(2R)-2-oxolanyl]methyl]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C20H24N6O4S
MOLECULAR WEIGHT: 444.50736
SMILES: COC1=CC=CC=C1C2=NOC(=N2)CSC3=NN=C(N3C[C@H]4CCCO4)CCC(=O)N
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Product OPENEYE NAME: 3-[4-(2-furylmethyl)-5-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[4-(2-furanylmethyl)-5-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[4-(furan-2-ylmethyl)-5-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[4-(furan-2-ylmethyl)-5-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C20H22N6O3S
MOLECULAR WEIGHT: 426.49208
SMILES: C1=CC=C2C(=C1)NC(=O)N2CCCSC3=NN=C(N3CC4=CC=CO4)CCC(=O)N
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Product OPENEYE NAME: (2R)-2-[[5-(3-amino-3-oxo-propyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide
CAS Name: (2R)-2-[[5-(3-amino-3-oxopropyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-ethylpropanamide
IUPAC NAME: (2R)-2-[[5-(3-amino-3-oxopropyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide
SYSTEMATIC NAME: (2R)-2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-propanamide
MOLECULAR FORMULA: C19H27N5O5S2
MOLECULAR WEIGHT: 469.57818
SMILES: CCN([C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C)SC2=NN=C(N2CC3=CC=CO3)CCC(=O)N
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