Tuesday, May 14, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-[(2R)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CAS Name: 4-[(2R)-2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one
IUPAC NAME: 4-[(2R)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
SYSTEMATIC NAME: 4-[(2R)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
MOLECULAR FORMULA: C20H26N4O2S
MOLECULAR WEIGHT: 386.51104
SMILES: CCCCN1C(=C(N=C1S[C@H](C)C(=O)N2CC(=O)NC3=CC=CC=C32)C)C
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Product OPENEYE NAME: 6-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CAS Name: 6-[[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-[(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C19H24FN7S
MOLECULAR WEIGHT: 401.504163
SMILES: CCCCN1C(=C(N=C1SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)C)C
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Product OPENEYE NAME: 3-[3-[(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide
CAS Name: 3-[3-[[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide
IUPAC NAME: 3-[3-[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide
SYSTEMATIC NAME: 3-[3-[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide
MOLECULAR FORMULA: C21H30N4O2S
MOLECULAR WEIGHT: 402.5535
SMILES: C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CCC(=O)N)C5CC5
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Product OPENEYE NAME: 3-[3-[(1S)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide
CAS Name: 3-[3-[[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide
IUPAC NAME: 3-[3-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide
SYSTEMATIC NAME: 3-[3-[(2S)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide
MOLECULAR FORMULA: C21H30N4O2S
MOLECULAR WEIGHT: 402.5535
SMILES: C[C@@H](C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CCC(=O)N)C5CC5
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Product OPENEYE NAME: 2-[3-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide
CAS Name: 2-[3-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
IUPAC NAME: 2-[3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
SYSTEMATIC NAME: 2-[3-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide
MOLECULAR FORMULA: C19H21N5O2S2
MOLECULAR WEIGHT: 415.53234
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC(=O)N)C3=CC=CS3
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Product OPENEYE NAME: 2-[3-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide
CAS Name: 2-[3-[[2-(cycloheptylamino)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
IUPAC NAME: 2-[3-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
SYSTEMATIC NAME: 2-[3-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide
MOLECULAR FORMULA: C17H23N5O2S2
MOLECULAR WEIGHT: 393.52682
SMILES: C1CCCC(CC1)NC(=O)CSC2=NN=C(N2CC(=O)N)C3=CC=CS3
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Product OPENEYE NAME: 2-[3-[2-(2,5-difluoroanilino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide
CAS Name: 2-[3-[[2-(2,5-difluoroanilino)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
IUPAC NAME: 2-[3-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
SYSTEMATIC NAME: 2-[3-[2-[[2,5-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide
MOLECULAR FORMULA: C16H13F2N5O2S2
MOLECULAR WEIGHT: 409.433526
SMILES: C1=CSC(=C1)C2=NN=C(N2CC(=O)N)SCC(=O)NC3=C(C=CC(=C3)F)F
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Product OPENEYE NAME: 2-[3-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide
CAS Name: 2-[3-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
IUPAC NAME: 2-[3-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
SYSTEMATIC NAME: 2-[3-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide
MOLECULAR FORMULA: C18H18N4O2S2
MOLECULAR WEIGHT: 386.49112
SMILES: CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC(=O)N)C3=CC=CS3
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Product OPENEYE NAME: 2-[3-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide
CAS Name: 2-[3-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
IUPAC NAME: 2-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
SYSTEMATIC NAME: 2-[3-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide
MOLECULAR FORMULA: C20H22N4O2S2
MOLECULAR WEIGHT: 414.54428
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC(=O)N)C3=CC=CS3
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Product OPENEYE NAME: 2-[3-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide
CAS Name: 2-[3-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
IUPAC NAME: 2-[3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
SYSTEMATIC NAME: 2-[3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide
MOLECULAR FORMULA: C20H19N5O3S3
MOLECULAR WEIGHT: 473.59156
SMILES: COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NN=C(N3CC(=O)N)C4=CC=CS4)OC
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Product OPENEYE NAME: 2-[3-[2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide
CAS Name: 2-[3-[[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
IUPAC NAME: 2-[3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
SYSTEMATIC NAME: 2-[3-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide
MOLECULAR FORMULA: C16H17N5O2S3
MOLECULAR WEIGHT: 407.53348
SMILES: C[C@H](C1=CC=CS1)NC(=O)CSC2=NN=C(N2CC(=O)N)C3=CC=CS3
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Product OPENEYE NAME: 2-[3-[2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide
CAS Name: 2-[3-[[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
IUPAC NAME: 2-[3-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide
SYSTEMATIC NAME: 2-[3-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide
MOLECULAR FORMULA: C16H17N5O2S3
MOLECULAR WEIGHT: 407.53348
SMILES: C[C@@H](C1=CC=CS1)NC(=O)CSC2=NN=C(N2CC(=O)N)C3=CC=CS3
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Product OPENEYE NAME: 3-[5-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
CAS Name: 3-[5-[[2-(3-bromoanilino)-2-oxoethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
IUPAC NAME: 3-[5-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
SYSTEMATIC NAME: 3-[5-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide
MOLECULAR FORMULA: C16H18BrN5O2S
MOLECULAR WEIGHT: 424.31542
SMILES: C1CC1N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Br)CCC(=O)N
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