Sunday, September 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[2-butyl-3-(2-naphthylsulfanyl)phenyl]ethanamine
CAS Name: 2-[2-butyl-3-(2-naphthalenylthio)phenyl]ethanamine
IUPAC NAME: 2-(2-butyl-3-naphthalen-2-ylsulfanylphenyl)ethanamine
SYSTEMATIC NAME: 2-(2-butyl-3-naphthalen-2-ylsulfanyl-phenyl)ethanamine
MOLECULAR FORMULA: C22H25NS
MOLECULAR WEIGHT: 335.5056
SMILES: CCCCC1=C(C=CC=C1SC2=CC3=CC=CC=C3C=C2)CCN
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Product OPENEYE NAME: 6-[3-[methyl(2-phenylethyl)amino]propyl]cyclohexa-2,4-diene-1-thione
CAS Name: 6-[3-[methyl(2-phenylethyl)amino]propyl]-1-cyclohexa-2,4-dienethione
IUPAC NAME: 6-[3-[methyl(2-phenylethyl)amino]propyl]cyclohexa-2,4-diene-1-thione
SYSTEMATIC NAME: 6-[3-[methyl(2-phenylethyl)amino]propyl]cyclohexa-2,4-diene-1-thione
MOLECULAR FORMULA: C18H23NS
MOLECULAR WEIGHT: 285.44692
SMILES: CN(CCCC1C=CC=CC1=S)CCC2=CC=CC=C2
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Product OPENEYE NAME: 2-[3-(4-fluorophenyl)sulfanyl-2-propyl-phenyl]-N-methyl-ethanamine
CAS Name: 2-[3-[(4-fluorophenyl)thio]-2-propylphenyl]-N-methylethanamine
IUPAC NAME: 2-[3-(4-fluorophenyl)sulfanyl-2-propylphenyl]-N-methylethanamine
SYSTEMATIC NAME: 2-[3-(4-fluorophenyl)sulfanyl-2-propyl-phenyl]-N-methyl-ethanamine
MOLECULAR FORMULA: C18H22FNS
MOLECULAR WEIGHT: 303.437383
SMILES: CCCC1=C(C=CC=C1SC2=CC=C(C=C2)F)CCNC
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Product OPENEYE NAME: 2-[2-butyl-3-(4-fluorophenyl)sulfonyl-phenyl]-N-methyl-ethanamine
CAS Name: 2-[2-butyl-3-(4-fluorophenyl)sulfonylphenyl]-N-methylethanamine
IUPAC NAME: 2-[2-butyl-3-(4-fluorophenyl)sulfonylphenyl]-N-methylethanamine
SYSTEMATIC NAME: 2-[2-butyl-3-(4-fluorophenyl)sulfonyl-phenyl]-N-methyl-ethanamine
MOLECULAR FORMULA: C19H24FNO2S
MOLECULAR WEIGHT: 349.462763
SMILES: CCCCC1=C(C=CC=C1S(=O)(=O)C2=CC=C(C=C2)F)CCNC
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Product OPENEYE NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide; oxalic acid
CAS Name: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide; oxalic acid
IUPAC NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide
MOLECULAR FORMULA: C27H28N2O5S
MOLECULAR WEIGHT: 492.58662
SMILES: CN(CCCN(C1=CC=CC=C1)C(=O)C2=C3C(=CC=C2)S3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O
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Product OPENEYE NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide
CAS Name: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide
IUPAC NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide
SYSTEMATIC NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide
MOLECULAR FORMULA: C25H26N2OS
MOLECULAR WEIGHT: 402.55174
SMILES: CN(CCCN(C1=CC=CC=C1)C(=O)C2=C3C(=CC=C2)S3)CCC4=CC=CC=C4
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Product OPENEYE NAME: 2-(2-propylphenyl)-1-sulfonyl-ethanamine
CAS Name: 2-(2-propylphenyl)-1-sulfonylethanamine
IUPAC NAME: 2-(2-propylphenyl)-1-sulfonylethanamine
SYSTEMATIC NAME: 2-(2-propylphenyl)-1-sulfonyl-ethanamine
MOLECULAR FORMULA: C11H15NO2S
MOLECULAR WEIGHT: 225.3073
SMILES: CCCC1=CC=CC=C1CC(=S(=O)=O)N
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Product OPENEYE NAME: O1-butyl O2-(2-naphthylsulfanyl) oxalate; 2-phenylethanamine
CAS Name: oxalic acid O1-butyl ester O2-(2-naphthalenylthio) ester; 2-phenylethanamine
IUPAC NAME: 1-O-butyl 2-O-naphthalen-2-ylsulfanyl oxalate; 2-phenylethanamine
SYSTEMATIC NAME: O1-butyl O2-naphthalen-2-ylsulfanyl ethanedioate; 2-phenylethanamine
MOLECULAR FORMULA: C24H27NO4S
MOLECULAR WEIGHT: 425.54048
SMILES: CCCCOC(=O)C(=O)OSC1=CC2=CC=CC=C2C=C1.C1=CC=C(C=C1)CCN
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Product OPENEYE NAME: O1-butyl O2-(2-naphthylsulfanyl) oxalate
CAS Name: oxalic acid O1-butyl ester O2-(2-naphthalenylthio) ester
IUPAC NAME: 1-O-butyl 2-O-naphthalen-2-ylsulfanyl oxalate
SYSTEMATIC NAME: O1-butyl O2-naphthalen-2-ylsulfanyl ethanedioate
MOLECULAR FORMULA: C16H16O4S
MOLECULAR WEIGHT: 304.36084
SMILES: CCCCOC(=O)C(=O)OSC1=CC2=CC=CC=C2C=C1
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Product OPENEYE NAME: 3-[3-(4-fluorophenyl)sulfanyl-2-propyl-phenyl]-N-methyl-propan-1-amine
CAS Name: 3-[3-[(4-fluorophenyl)thio]-2-propylphenyl]-N-methyl-1-propanamine
IUPAC NAME: 3-[3-(4-fluorophenyl)sulfanyl-2-propylphenyl]-N-methylpropan-1-amine
SYSTEMATIC NAME: 3-[3-(4-fluorophenyl)sulfanyl-2-propyl-phenyl]-N-methyl-propan-1-amine
MOLECULAR FORMULA: C19H24FNS
MOLECULAR WEIGHT: 317.463963
SMILES: CCCC1=C(C=CC=C1SC2=CC=C(C=C2)F)CCCNC
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Product OPENEYE NAME: 2-(4-fluorophenyl)sulfanyloxy-2-oxo-acetic acid; 2-(2-hexylphenyl)-N-methyl-ethanamine
CAS Name: 2-[(4-fluorophenyl)thio]oxy-2-oxoacetic acid; 2-(2-hexylphenyl)-N-methylethanamine
IUPAC NAME: 2-(4-fluorophenyl)sulfanyloxy-2-oxoacetic acid; 2-(2-hexylphenyl)-N-methylethanamine
SYSTEMATIC NAME: 2-(4-fluorophenyl)sulfanyloxy-2-oxidanylidene-ethanoic acid; 2-(2-hexylphenyl)-N-methyl-ethanamine
MOLECULAR FORMULA: C23H30FNO4S
MOLECULAR WEIGHT: 435.552003
SMILES: CCCCCCC1=CC=CC=C1CCNC.C1=CC(=CC=C1F)SOC(=O)C(=O)O
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Product OPENEYE NAME: 2-(4-fluorophenyl)sulfanyloxy-2-oxo-acetic acid
CAS Name: 2-[(4-fluorophenyl)thio]oxy-2-oxoacetic acid
IUPAC NAME: 2-(4-fluorophenyl)sulfanyloxy-2-oxoacetic acid
SYSTEMATIC NAME: 2-(4-fluorophenyl)sulfanyloxy-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C8H5FO4S
MOLECULAR WEIGHT: 216.186303
SMILES: C1=CC(=CC=C1F)SOC(=O)C(=O)O
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Product OPENEYE NAME: 2-(2-hexylphenyl)-N-methyl-ethanamine
CAS Name: 2-(2-hexylphenyl)-N-methylethanamine
IUPAC NAME: 2-(2-hexylphenyl)-N-methylethanamine
SYSTEMATIC NAME: 2-(2-hexylphenyl)-N-methyl-ethanamine
MOLECULAR FORMULA: C15H25N
MOLECULAR WEIGHT: 219.3657
SMILES: CCCCCCC1=CC=CC=C1CCNC
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Product OPENEYE NAME: 2-[2-ethyl-3-(4-fluorophenyl)sulfonyl-phenyl]-N-methyl-ethanamine
CAS Name: 2-[2-ethyl-3-(4-fluorophenyl)sulfonylphenyl]-N-methylethanamine
IUPAC NAME: 2-[2-ethyl-3-(4-fluorophenyl)sulfonylphenyl]-N-methylethanamine
SYSTEMATIC NAME: 2-[2-ethyl-3-(4-fluorophenyl)sulfonyl-phenyl]-N-methyl-ethanamine
MOLECULAR FORMULA: C17H20FNO2S
MOLECULAR WEIGHT: 321.409603
SMILES: CCC1=C(C=CC=C1S(=O)(=O)C2=CC=C(C=C2)F)CCNC
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Product OPENEYE NAME: O1-butyl O2-(2-naphthylsulfonyl) oxalate; 2-phenylethanamine; hydrate
CAS Name: oxalic acid O1-butyl ester O2-(2-naphthalenylsulfonyl) ester; 2-phenylethanamine; hydrate
IUPAC NAME: 1-O-butyl 2-O-naphthalen-2-ylsulfonyl oxalate; 2-phenylethanamine; hydrate
SYSTEMATIC NAME: O1-butyl O2-naphthalen-2-ylsulfonyl ethanedioate; 2-phenylethanamine; hydrate
MOLECULAR FORMULA: C24H29NO7S
MOLECULAR WEIGHT: 475.55456
SMILES: CCCCOC(=O)C(=O)OS(=O)(=O)C1=CC2=CC=CC=C2C=C1.C1=CC=C(C=C1)CCN.O
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Product OPENEYE NAME: O1-butyl O2-(2-naphthylsulfonyl) oxalate
CAS Name: oxalic acid O1-butyl ester O2-(2-naphthalenylsulfonyl) ester
IUPAC NAME: 1-O-butyl 2-O-naphthalen-2-ylsulfonyl oxalate
SYSTEMATIC NAME: O1-butyl O2-naphthalen-2-ylsulfonyl ethanedioate
MOLECULAR FORMULA: C16H16O6S
MOLECULAR WEIGHT: 336.35964
SMILES: CCCCOC(=O)C(=O)OS(=O)(=O)C1=CC2=CC=CC=C2C=C1
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Product OPENEYE NAME: methanol; 3,3,3-trichloropropanenitrile
CAS Name: methanol; 3,3,3-trichloropropanenitrile
IUPAC NAME: methanol; 3,3,3-trichloropropanenitrile
SYSTEMATIC NAME: methanol; 3,3,3-tris(chloranyl)propanenitrile
MOLECULAR FORMULA: C4H6Cl3NO
MOLECULAR WEIGHT: 190.45554
SMILES: CO.C(C#N)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 2-[2-[4-(2-naphthylsulfonyl)butyl]phenyl]ethanamine
CAS Name: 2-[2-[4-(2-naphthalenylsulfonyl)butyl]phenyl]ethanamine
IUPAC NAME: 2-[2-(4-naphthalen-2-ylsulfonylbutyl)phenyl]ethanamine
SYSTEMATIC NAME: 2-[2-(4-naphthalen-2-ylsulfonylbutyl)phenyl]ethanamine
MOLECULAR FORMULA: C22H25NO2S
MOLECULAR WEIGHT: 367.5044
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CCCCC3=CC=CC=C3CCN
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Product OPENEYE NAME: N-[4-[methyl(2-phenylethyl)amino]butyl]-N-phenyl-2-thioxo-acetamide; oxalic acid; hydrate
CAS Name: N-[4-[methyl(2-phenylethyl)amino]butyl]-N-phenyl-2-sulfanylideneacetamide; oxalic acid; hydrate
IUPAC NAME: N-[4-[methyl(2-phenylethyl)amino]butyl]-N-phenyl-2-sulfanylideneacetamide; oxalic acid; hydrate
SYSTEMATIC NAME: ethanedioic acid; N-[4-[methyl(2-phenylethyl)amino]butyl]-N-phenyl-2-sulfanylidene-ethanamide; hydrate
MOLECULAR FORMULA: C23H30N2O6S
MOLECULAR WEIGHT: 462.5591
SMILES: CN(CCCCN(C1=CC=CC=C1)C(=O)C=S)CCC2=CC=CC=C2.C(=O)(C(=O)O)O.O
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Product OPENEYE NAME: N-[4-[methyl(2-phenylethyl)amino]butyl]-N-phenyl-2-thioxo-acetamide
CAS Name: N-[4-[methyl(2-phenylethyl)amino]butyl]-N-phenyl-2-sulfanylideneacetamide
IUPAC NAME: N-[4-[methyl(2-phenylethyl)amino]butyl]-N-phenyl-2-sulfanylideneacetamide
SYSTEMATIC NAME: N-[4-[methyl(2-phenylethyl)amino]butyl]-N-phenyl-2-sulfanylidene-ethanamide
MOLECULAR FORMULA: C21H26N2OS
MOLECULAR WEIGHT: 354.50894
SMILES: CN(CCCCN(C1=CC=CC=C1)C(=O)C=S)CCC2=CC=CC=C2
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Product OPENEYE NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-thioxo-propanamide; oxalic acid; hydrate
CAS Name: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-sulfanylidenepropanamide; oxalic acid; hydrate
IUPAC NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-sulfanylidenepropanamide; oxalic acid; hydrate
SYSTEMATIC NAME: ethanedioic acid; N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-sulfanylidene-propanamide; hydrate
MOLECULAR FORMULA: C23H30N2O6S
MOLECULAR WEIGHT: 462.5591
SMILES: CC(=S)C(=O)N(CCCN(C)CCC1=CC=CC=C1)C2=CC=CC=C2.C(=O)(C(=O)O)O.O
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Product OPENEYE NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-thioxo-propanamide
CAS Name: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-sulfanylidenepropanamide
IUPAC NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-sulfanylidenepropanamide
SYSTEMATIC NAME: N-[3-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-2-sulfanylidene-propanamide
MOLECULAR FORMULA: C21H26N2OS
MOLECULAR WEIGHT: 354.50894
SMILES: CC(=S)C(=O)N(CCCN(C)CCC1=CC=CC=C1)C2=CC=CC=C2
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