Wednesday, November 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 5-[5-(2-phenylethynyl)-3-pyridyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CAS Name: 5-[5-(2-phenylethynyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
IUPAC NAME: 5-[5-(2-phenylethynyl)pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[5-(2-phenylethynyl)pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C22H12F3N3O
MOLECULAR WEIGHT: 391.34539
SMILES: C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME: 5-[5-(2-phenylethynyl)-3-pyridyl]-3-(p-tolyl)-1,2,4-oxadiazole
CAS Name: 3-(4-methylphenyl)-5-[5-(2-phenylethynyl)-3-pyridinyl]-1,2,4-oxadiazole
IUPAC NAME: 3-(4-methylphenyl)-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-(4-methylphenyl)-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C22H15N3O
MOLECULAR WEIGHT: 337.374
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)C3=CN=CC(=C3)C#CC4=CC=CC=C4
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Product OPENEYE NAME: 3-phenyl-5-[5-(2-phenylethynyl)-3-pyridyl]-1,2,4-oxadiazole
CAS Name: 3-phenyl-5-[5-(2-phenylethynyl)-3-pyridinyl]-1,2,4-oxadiazole
IUPAC NAME: 3-phenyl-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-phenyl-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C21H13N3O
MOLECULAR WEIGHT: 323.34742
SMILES: C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C3=NC(=NO3)C4=CC=CC=C4
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Product OPENEYE NAME: 5-[3-(dimethylamino)prop-1-ynyl]pyridine-3-carbohydrazide
CAS Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-pyridinecarbohydrazide
IUPAC NAME: 5-[3-(dimethylamino)prop-1-ynyl]pyridine-3-carbohydrazide
SYSTEMATIC NAME: 5-[3-(dimethylamino)prop-1-ynyl]pyridine-3-carbohydrazide
MOLECULAR FORMULA: C11H14N4O
MOLECULAR WEIGHT: 218.25506
SMILES: CN(C)CC#CC1=CC(=CN=C1)C(=O)NN
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Product OPENEYE NAME: 4-(4-chlorophenyl)-2-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)thiazole
CAS Name: 4-(4-chlorophenyl)-2-[3-(methylthio)-1-phenyl-4-pyrazolyl]thiazole
IUPAC NAME: 4-(4-chlorophenyl)-2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-1,3-thiazole
SYSTEMATIC NAME: 4-(4-chlorophenyl)-2-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-1,3-thiazole
MOLECULAR FORMULA: C19H14ClN3S2
MOLECULAR WEIGHT: 383.91756
SMILES: CSC1=NN(C=C1C2=NC(=CS2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
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Product OPENEYE NAME: 4-tert-butyl-2-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)thiazole
CAS Name: 4-tert-butyl-2-[3-(methylthio)-1-phenyl-4-pyrazolyl]thiazole
IUPAC NAME: 4-tert-butyl-2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-1,3-thiazole
SYSTEMATIC NAME: 4-tert-butyl-2-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-1,3-thiazole
MOLECULAR FORMULA: C17H19N3S2
MOLECULAR WEIGHT: 329.48286
SMILES: CC(C)(C)C1=CSC(=N1)C2=CN(N=C2SC)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-4-phenyl-thiazole
CAS Name: 2-[3-(methylthio)-1-phenyl-4-pyrazolyl]-4-phenylthiazole
IUPAC NAME: 2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole
SYSTEMATIC NAME: 2-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-4-phenyl-1,3-thiazole
MOLECULAR FORMULA: C19H15N3S2
MOLECULAR WEIGHT: 349.4725
SMILES: CSC1=NN(C=C1C2=NC(=CS2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: ethyl 2-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)thiazole-4-carboxylate
CAS Name: 2-[3-(methylthio)-1-phenyl-4-pyrazolyl]-4-thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C16H15N3O2S2
MOLECULAR WEIGHT: 345.4392
SMILES: CCOC(=O)C1=CSC(=N1)C2=CN(N=C2SC)C3=CC=CC=C3
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Product OPENEYE NAME: 5-[3-(dimethylamino)prop-1-ynyl]pyridine-3-carbonitrile
CAS Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-pyridinecarbonitrile
IUPAC NAME: 5-[3-(dimethylamino)prop-1-ynyl]pyridine-3-carbonitrile
SYSTEMATIC NAME: 5-[3-(dimethylamino)prop-1-ynyl]pyridine-3-carbonitrile
MOLECULAR FORMULA: C11H11N3
MOLECULAR WEIGHT: 185.22514
SMILES: CN(C)CC#CC1=CC(=CN=C1)C#N
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Product OPENEYE NAME: N-[methyl-[5-(trifluoromethyl)-2-pyridyl]-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
CAS Name: N-[methyl-[5-(trifluoromethyl)-2-pyridinyl]-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
IUPAC NAME: N-[methyl-[5-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
SYSTEMATIC NAME: N-[methyl-[5-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
MOLECULAR FORMULA: C13H9F3N4O2S3
MOLECULAR WEIGHT: 406.42637
SMILES: CS(=NS(=O)(=O)C1=CC=CC2=NSN=C21)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: N-[methyl-[3-(trifluoromethyl)-2-pyridyl]-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
CAS Name: N-[methyl-[3-(trifluoromethyl)-2-pyridinyl]-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
IUPAC NAME: N-[methyl-[3-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
SYSTEMATIC NAME: N-[methyl-[3-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
MOLECULAR FORMULA: C13H9F3N4O2S3
MOLECULAR WEIGHT: 406.42637
SMILES: CS(=NS(=O)(=O)C1=CC=CC2=NSN=C21)C3=C(C=CC=N3)C(F)(F)F
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Product OPENEYE NAME: N-[methyl-[5-(trifluoromethyl)-2-pyridyl]-$l^{4}-sulfanylidene]-2,1,3-benzoxadiazole-4-sulfonamide
CAS Name: N-[methyl-[5-(trifluoromethyl)-2-pyridinyl]-$l^{4}-sulfanylidene]-2,1,3-benzoxadiazole-4-sulfonamide
IUPAC NAME: N-[methyl-[5-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfanylidene]-2,1,3-benzoxadiazole-4-sulfonamide
SYSTEMATIC NAME: N-[methyl-[5-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfanylidene]-2,1,3-benzoxadiazole-4-sulfonamide
MOLECULAR FORMULA: C13H9F3N4O3S2
MOLECULAR WEIGHT: 390.36077
SMILES: CS(=NS(=O)(=O)C1=CC=CC2=NON=C21)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: N-[methyl-[3-(trifluoromethyl)-2-pyridyl]-$l^{4}-sulfanylidene]-2,1,3-benzoxadiazole-4-carboxamide
CAS Name: N-[methyl-[3-(trifluoromethyl)-2-pyridinyl]-$l^{4}-sulfanylidene]-2,1,3-benzoxadiazole-4-carboxamide
IUPAC NAME: N-[methyl-[3-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfanylidene]-2,1,3-benzoxadiazole-4-carboxamide
SYSTEMATIC NAME: N-[methyl-[3-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfanylidene]-2,1,3-benzoxadiazole-4-carboxamide
MOLECULAR FORMULA: C14H9F3N4O2S
MOLECULAR WEIGHT: 354.30707
SMILES: CS(=NC(=O)C1=CC=CC2=NON=C21)C3=C(C=CC=N3)C(F)(F)F
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Product OPENEYE NAME: 1-[5-chloro-3-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide
CAS Name: 1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[5-chloro-3-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[5-chloranyl-3-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C12H13ClF3N3O
MOLECULAR WEIGHT: 307.69933
SMILES: C1CN(CCC1C(=O)N)C2=NC=C(C=C2C(F)(F)F)Cl
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Product OPENEYE NAME: 4-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]hydrazono]methyl]phenyl]-2-methyl-but-3-yn-2-ol
CAS Name: 4-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenyl]-2-methyl-3-butyn-2-ol
IUPAC NAME: 4-[4-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]phenyl]-2-methylbut-3-yn-2-ol
SYSTEMATIC NAME: 4-[4-[[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]phenyl]-2-methyl-but-3-yn-2-ol
MOLECULAR FORMULA: C18H15ClF3N3O
MOLECULAR WEIGHT: 381.77941
SMILES: CC(C)(C#CC1=CC=C(C=C1)C=NNC2=C(C=C(C=N2)C(F)(F)F)Cl)O
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Product OPENEYE NAME: 1-[4-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide
CAS Name: 1-[4-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[4-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[4-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C12H14F3N3O
MOLECULAR WEIGHT: 273.25427
SMILES: C1CN(CCC1C(=O)N)C2=NC=CC(=C2)C(F)(F)F
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Product OPENEYE NAME: 4-[4-[[[5-chloro-3-(trifluoromethyl)-2-pyridyl]hydrazono]methyl]phenyl]-2-methyl-but-3-yn-2-ol
CAS Name: 4-[4-[[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenyl]-2-methyl-3-butyn-2-ol
IUPAC NAME: 4-[4-[[[5-chloro-3-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]phenyl]-2-methylbut-3-yn-2-ol
SYSTEMATIC NAME: 4-[4-[[[5-chloranyl-3-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]phenyl]-2-methyl-but-3-yn-2-ol
MOLECULAR FORMULA: C18H15ClF3N3O
MOLECULAR WEIGHT: 381.77941
SMILES: CC(C)(C#CC1=CC=C(C=C1)C=NNC2=NC=C(C=C2C(F)(F)F)Cl)O
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Product OPENEYE NAME: 2-methyl-4-[4-[[[6-(trifluoromethyl)-2-pyridyl]hydrazono]methyl]phenyl]but-3-yn-2-ol
CAS Name: 2-methyl-4-[4-[[[6-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenyl]-3-butyn-2-ol
IUPAC NAME: 2-methyl-4-[4-[[[6-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]phenyl]but-3-yn-2-ol
SYSTEMATIC NAME: 2-methyl-4-[4-[[[6-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]phenyl]but-3-yn-2-ol
MOLECULAR FORMULA: C18H16F3N3O
MOLECULAR WEIGHT: 347.33435
SMILES: CC(C)(C#CC1=CC=C(C=C1)C=NNC2=CC=CC(=N2)C(F)(F)F)O
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Product OPENEYE NAME: N-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
CAS Name: N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methyl-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
IUPAC NAME: N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methyl-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
SYSTEMATIC NAME: N-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-methyl-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
MOLECULAR FORMULA: C13H8ClF3N4O2S3
MOLECULAR WEIGHT: 440.87143
SMILES: CS(=NS(=O)(=O)C1=CC=CC2=NSN=C21)C3=C(C=C(C=N3)C(F)(F)F)Cl
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Product OPENEYE NAME: N-[[5-chloro-3-(trifluoromethyl)-2-pyridyl]-methyl-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
CAS Name: N-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methyl-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
IUPAC NAME: N-[[5-chloro-3-(trifluoromethyl)pyridin-2-yl]-methyl-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
SYSTEMATIC NAME: N-[[5-chloranyl-3-(trifluoromethyl)pyridin-2-yl]-methyl-$l^{4}-sulfanylidene]-2,1,3-benzothiadiazole-4-sulfonamide
MOLECULAR FORMULA: C13H8ClF3N4O2S3
MOLECULAR WEIGHT: 440.87143
SMILES: CS(=NS(=O)(=O)C1=CC=CC2=NSN=C21)C3=NC=C(C=C3C(F)(F)F)Cl
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Product OPENEYE NAME: 1-[3-(2,6-dichlorophenyl)-4-methyl-isoxazol-5-yl]-2-[[methyl-oxo-[5-(trifluoromethyl)-2-pyridyl]-$l^{6}-sulfanylidene]amino]ethanone
CAS Name: 1-[3-(2,6-dichlorophenyl)-4-methyl-5-isoxazolyl]-2-[[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-$l^{6}-sulfanylidene]amino]ethanone
IUPAC NAME: 1-[3-(2,6-dichlorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-[[methyl-oxo-[5-(trifluoromethyl)pyridin-2-yl]-$l^{6}-sulfanylidene]amino]ethanone
SYSTEMATIC NAME: 1-[3-[2,6-bis(chloranyl)phenyl]-4-methyl-1,2-oxazol-5-yl]-2-[[methyl-oxidanylidene-[5-(trifluoromethyl)pyridin-2-yl]-$l^{6}-sulfanylidene]amino]ethanone
MOLECULAR FORMULA: C19H14Cl2F3N3O3S
MOLECULAR WEIGHT: 492.29897
SMILES: CC1=C(ON=C1C2=C(C=CC=C2Cl)Cl)C(=O)CN=S(=O)(C)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 2-[[methyl-oxo-[5-(trifluoromethyl)-2-pyridyl]-$l^{6}-sulfanylidene]amino]-1-(4-methyl-3-phenyl-isoxazol-5-yl)ethanone
CAS Name: 2-[[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-$l^{6}-sulfanylidene]amino]-1-(4-methyl-3-phenyl-5-isoxazolyl)ethanone
IUPAC NAME: 2-[[methyl-oxo-[5-(trifluoromethyl)pyridin-2-yl]-$l^{6}-sulfanylidene]amino]-1-(4-methyl-3-phenyl-1,2-oxazol-5-yl)ethanone
SYSTEMATIC NAME: 2-[[methyl-oxidanylidene-[5-(trifluoromethyl)pyridin-2-yl]-$l^{6}-sulfanylidene]amino]-1-(4-methyl-3-phenyl-1,2-oxazol-5-yl)ethanone
MOLECULAR FORMULA: C19H16F3N3O3S
MOLECULAR WEIGHT: 423.40885
SMILES: CC1=C(ON=C1C2=CC=CC=C2)C(=O)CN=S(=O)(C)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 1-benzhydryl-4-[5-chloro-3-(trifluoromethyl)-2-pyridyl]piperazine
CAS Name: 1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-4-(diphenylmethyl)piperazine
IUPAC NAME: 1-benzhydryl-4-[5-chloro-3-(trifluoromethyl)pyridin-2-yl]piperazine
SYSTEMATIC NAME: 1-[5-chloranyl-3-(trifluoromethyl)pyridin-2-yl]-4-(diphenylmethyl)piperazine
MOLECULAR FORMULA: C23H21ClF3N3
MOLECULAR WEIGHT: 431.88115
SMILES: C1CN(CCN1C2=NC=C(C=C2C(F)(F)F)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4
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