Friday, October 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazono]pentane-2,4-dione
CAS Name: 3-[[4-[3-(trifluoromethyl)-1-pyrazolyl]phenyl]hydrazinylidene]pentane-2,4-dione
IUPAC NAME: 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazinylidene]pentane-2,4-dione
SYSTEMATIC NAME: 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazinylidene]pentane-2,4-dione
MOLECULAR FORMULA: C15H13F3N4O2
MOLECULAR WEIGHT: 338.28453
SMILES: CC(=O)C(=NNC1=CC=C(C=C1)N2C=CC(=N2)C(F)(F)F)C(=O)C
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Product OPENEYE NAME: ethyl 2-cyano-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazono]acetate
CAS Name: 2-cyano-2-[[4-[3-(trifluoromethyl)-1-pyrazolyl]phenyl]hydrazinylidene]acetic acid ethyl ester
IUPAC NAME: ethyl 2-cyano-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazinylidene]acetate
SYSTEMATIC NAME: ethyl 2-cyano-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazinylidene]ethanoate
MOLECULAR FORMULA: C15H12F3N5O2
MOLECULAR WEIGHT: 351.28329
SMILES: CCOC(=O)C(=NNC1=CC=C(C=C1)N2C=CC(=N2)C(F)(F)F)C#N
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Product OPENEYE NAME: 2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazono]propanedinitrile
CAS Name: 2-[[4-[3-(trifluoromethyl)-1-pyrazolyl]phenyl]hydrazinylidene]propanedinitrile
IUPAC NAME: 2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile
SYSTEMATIC NAME: 2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile
MOLECULAR FORMULA: C13H7F3N6
MOLECULAR WEIGHT: 304.23009
SMILES: C1=CC(=CC=C1NN=C(C#N)C#N)N2C=CC(=N2)C(F)(F)F
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Product OPENEYE NAME: ethyl 4,4,4-trifluoro-3-oxo-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazono]butanoate
CAS Name: 4,4,4-trifluoro-3-oxo-2-[[4-[3-(trifluoromethyl)-1-pyrazolyl]phenyl]hydrazinylidene]butanoic acid ethyl ester
IUPAC NAME: ethyl 4,4,4-trifluoro-3-oxo-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazinylidene]butanoate
SYSTEMATIC NAME: ethyl 4,4,4-tris(fluoranyl)-3-oxidanylidene-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazinylidene]butanoate
MOLECULAR FORMULA: C16H12F6N4O3
MOLECULAR WEIGHT: 422.281899
SMILES: CCOC(=O)C(=NNC1=CC=C(C=C1)N2C=CC(=N2)C(F)(F)F)C(=O)C(F)(F)F
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Product OPENEYE NAME: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CAS Name: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[4-(trifluoromethylthio)phenyl]-1-piperazinecarboxamide
IUPAC NAME: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
SYSTEMATIC NAME: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C20H18F3N5OS2
MOLECULAR WEIGHT: 465.51503
SMILES: C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)SC(F)(F)F
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Product OPENEYE NAME: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CAS Name: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-1-piperazinecarboxamide
IUPAC NAME: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SYSTEMATIC NAME: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C20H18F3N5O2S
MOLECULAR WEIGHT: 449.44943
SMILES: C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F
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Product OPENEYE NAME: N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CAS Name: N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinecarboxamide
IUPAC NAME: N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SYSTEMATIC NAME: N-tert-butyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
MOLECULAR FORMULA: C17H23N5OS
MOLECULAR WEIGHT: 345.46242
SMILES: CC(C)(C)NC(=O)N1CCN(CC1)C2=NC(=NS2)C3=CC=CC=C3
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Product OPENEYE NAME: N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CAS Name: N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinecarboxamide
IUPAC NAME: N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SYSTEMATIC NAME: N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
MOLECULAR FORMULA: C19H19N5OS
MOLECULAR WEIGHT: 365.45206
SMILES: C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
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Product OPENEYE NAME: 3-phenyl-5-[4-(p-tolylsulfonyl)piperazin-1-yl]-1,2,4-thiadiazole
CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-phenyl-1,2,4-thiadiazole
IUPAC NAME: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
SYSTEMATIC NAME: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
MOLECULAR FORMULA: C19H20N4O2S2
MOLECULAR WEIGHT: 400.5177
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4
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Product OPENEYE NAME: 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole
CAS Name: 5-(4-ethylsulfonyl-1-piperazinyl)-3-phenyl-1,2,4-thiadiazole
IUPAC NAME: 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole
SYSTEMATIC NAME: 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole
MOLECULAR FORMULA: C14H18N4O2S2
MOLECULAR WEIGHT: 338.44832
SMILES: CCS(=O)(=O)N1CCN(CC1)C2=NC(=NS2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]sulfanylacetic acid
CAS Name: 2-[[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]ethyl]thio]acetic acid
IUPAC NAME: 2-[2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C16H18N4O3S2
MOLECULAR WEIGHT: 378.46912
SMILES: C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)CSCC(=O)O
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Product OPENEYE NAME: 4-oxo-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoic acid
CAS Name: 4-oxo-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]-2-butenoic acid
IUPAC NAME: 4-oxo-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoic acid
SYSTEMATIC NAME: 4-oxidanylidene-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoic acid
MOLECULAR FORMULA: C16H16N4O3S
MOLECULAR WEIGHT: 344.38824
SMILES: C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)C=CC(=O)O
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Product OPENEYE NAME: 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]benzoic acid
CAS Name: 2-[oxo-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]methyl]benzoic acid
IUPAC NAME: 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]benzoic acid
SYSTEMATIC NAME: 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]carbonylbenzoic acid
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C(=O)O
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Product OPENEYE NAME: 1-(4-bromophenoxy)-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CAS Name: 1-(4-bromophenoxy)-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]-2-propanol
IUPAC NAME: 1-(4-bromophenoxy)-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-(4-bromanylphenoxy)-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C21H23BrN4O2S
MOLECULAR WEIGHT: 475.40192
SMILES: C1CN(CCN1CC(COC2=CC=C(C=C2)Br)O)C3=NC(=NS3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol hydrochloride
CAS Name: 1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]-3-(phenylthio)-2-propanol hydrochloride
IUPAC NAME: 1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol hydrochloride
MOLECULAR FORMULA: C21H25ClN4OS2
MOLECULAR WEIGHT: 449.0324
SMILES: C1CN(CCN1CC(CSC2=CC=CC=C2)O)C3=NC(=NS3)C4=CC=CC=C4.Cl
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Product OPENEYE NAME: 1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CAS Name: 1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]-3-(phenylthio)-2-propanol
IUPAC NAME: 1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C21H24N4OS2
MOLECULAR WEIGHT: 412.57146
SMILES: C1CN(CCN1CC(CSC2=CC=CC=C2)O)C3=NC(=NS3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CAS Name: 1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]-3-[3-(trifluoromethyl)phenoxy]-2-propanol
IUPAC NAME: 1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
MOLECULAR FORMULA: C22H23F3N4O2S
MOLECULAR WEIGHT: 464.50383
SMILES: C1CN(CCN1CC(COC2=CC=CC(=C2)C(F)(F)F)O)C3=NC(=NS3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyleneamino]pyrimidin-2-amine
CAS Name: 4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-2-pyrimidinamine
IUPAC NAME: 4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrimidin-2-amine
SYSTEMATIC NAME: 4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrimidin-2-amine
MOLECULAR FORMULA: C13H8F6N4
MOLECULAR WEIGHT: 334.219839
SMILES: C1=CC(=CC=C1C=NNC2=NC=CC(=N2)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: N-[(5-bromo-2-methoxy-phenyl)methyleneamino]-4-(trifluoromethyl)pyrimidin-2-amine
CAS Name: N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)-2-pyrimidinamine
IUPAC NAME: N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine
SYSTEMATIC NAME: N-[(5-bromanyl-2-methoxy-phenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine
MOLECULAR FORMULA: C13H10BrF3N4O
MOLECULAR WEIGHT: 375.14391
SMILES: COC1=C(C=C(C=C1)Br)C=NNC2=NC=CC(=N2)C(F)(F)F
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Product OPENEYE NAME: N-[(2,4-dichlorophenyl)methyleneamino]-4-(trifluoromethyl)pyrimidin-2-amine
CAS Name: N-[(2,4-dichlorophenyl)methylideneamino]-4-(trifluoromethyl)-2-pyrimidinamine
IUPAC NAME: N-[(2,4-dichlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine
SYSTEMATIC NAME: N-[(2,4-dichlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine
MOLECULAR FORMULA: C12H7Cl2F3N4
MOLECULAR WEIGHT: 335.11199
SMILES: C1=CC(=C(C=C1Cl)Cl)C=NNC2=NC=CC(=N2)C(F)(F)F
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Product OPENEYE NAME: 3,5-bis(trifluoromethyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide
CAS Name: 3,5-bis(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyrimidinyl]benzohydrazide
IUPAC NAME: 3,5-bis(trifluoromethyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide
SYSTEMATIC NAME: 3,5-bis(trifluoromethyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide
MOLECULAR FORMULA: C14H7F9N4O
MOLECULAR WEIGHT: 418.217209
SMILES: C1=CN=C(N=C1C(F)(F)F)NNC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 1-tert-butyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]urea
CAS Name: 1-tert-butyl-3-[[4-(trifluoromethyl)-2-pyrimidinyl]amino]urea
IUPAC NAME: 1-tert-butyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]urea
SYSTEMATIC NAME: 1-tert-butyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]urea
MOLECULAR FORMULA: C10H14F3N5O
MOLECULAR WEIGHT: 277.24627
SMILES: CC(C)(C)NC(=O)NNC1=NC=CC(=N1)C(F)(F)F
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Product OPENEYE NAME: 1-(3-chlorophenyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]urea
CAS Name: 1-(3-chlorophenyl)-3-[[4-(trifluoromethyl)-2-pyrimidinyl]amino]urea
IUPAC NAME: 1-(3-chlorophenyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]urea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]urea
MOLECULAR FORMULA: C12H9ClF3N5O
MOLECULAR WEIGHT: 331.68097
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)NNC2=NC=CC(=N2)C(F)(F)F
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