3-[bis(fluoranyl)-phenylsulfanyl-methyl]-3-oxidanyl-2-(phenylmethyl)isoindol-1-one

Systemtic Name: 3-[bis(fluoranyl)-phenylsulfanyl-methyl]-3-oxidanyl-2-(phenylmethyl)isoindol-1-one Openeye Name: 2-benzyl-3-[difluoro(phenylsulfanyl)methyl]-3-hydroxy-isoindolin-1-one CAS Name: 3-[difluoro-(phenylthio)methyl]-3-hydroxy-2-(phenylmethyl)-1-isoindolone IUPAC Name: 2-benzyl-3-[difluoro(phenylsulfanyl)methyl]-3-hydroxyisoindol-1-one Traditional Name: 2-benzyl-3-[difluoro-(phenylthio)methyl]-3-hydroxy-isoindolin-1-one Formula: C22H17F2NO2S MolecularWeight: 397.437686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17F2NO2S/c23-22(24,28-17-11-5-2-6-12-17)21(27)19-14-8-7-13-18(19)20(26)25(21)15-16-9-3-1-4-10-16/h1-14,27H,15H2