3-[bis(fluoranyl)-phenylsulfanyl-methyl]-3-oxidanyl-2-[(E)-3-phenylprop-2-enyl]isoindol-1-one

Systemtic Name: 3-[bis(fluoranyl)-phenylsulfanyl-methyl]-3-oxidanyl-2-[(E)-3-phenylprop-2-enyl]isoindol-1-one Openeye Name: 2-[(E)-cinnamyl]-3-[difluoro(phenylsulfanyl)methyl]-3-hydroxy-isoindolin-1-one CAS Name: 3-[difluoro-(phenylthio)methyl]-3-hydroxy-2-[(E)-3-phenylprop-2-enyl]-1-isoindolone IUPAC Name: 3-[difluoro(phenylsulfanyl)methyl]-3-hydroxy-2-[(E)-3-phenylprop-2-enyl]isoindol-1-one Traditional Name: 2-[(E)-cinnamyl]-3-[difluoro-(phenylthio)methyl]-3-hydroxy-isoindolin-1-one Formula: C24H19F2NO2S MolecularWeight: 423.474966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCN2C(=O)C3=CC=CC=C3C2(C(F)(F)SC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CN2C(=O)C3=CC=CC=C3C2(C(F)(F)SC4=CC=CC=C4)O

InChI

InChI=1S/C24H19F2NO2S/c25-24(26,30-19-13-5-2-6-14-19)23(29)21-16-8-7-15-20(21)22(28)27(23)17-9-12-18-10-3-1-4-11-18/h1-16,29H,17H2/b12-9+