5-oxidanyl-4-phenethylsulfanyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-3-one

Systemtic Name: 5-oxidanyl-4-phenethylsulfanyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-3-one Openeye Name: 5-hydroxy-4-phenethylsulfanyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-3-one CAS Name: 5-hydroxy-4-(phenethylthio)-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-3-one IUPAC Name: 5-hydroxy-4-phenethylsulfanyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-3-one Traditional Name: 5-hydroxy-4-(phenethylthio)-1-[3-(trifluoromethyl)benzyl]-2-pyrrolin-3-one Formula: C20H18F3NO2S MolecularWeight: 393.42263

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1CC2=CC(=CC=C2)C(F)(F)F)O)SCCC3=CC=CC=C3

Isomeric SMILES

C1C(=O)C(=C(N1CC2=CC(=CC=C2)C(F)(F)F)O)SCCC3=CC=CC=C3

InChI

InChI=1S/C20H18F3NO2S/c21-20(22,23)16-8-4-7-15(11-16)12-24-13-17(25)18(19(24)26)27-10-9-14-5-2-1-3-6-14/h1-8,11,26H,9-10,12-13H2