3-phenyl-2-(phenylmethyl)-3-(phenylmethylsulfanyl)isoindol-1-one

Systemtic Name: 3-phenyl-2-(phenylmethyl)-3-(phenylmethylsulfanyl)isoindol-1-one Openeye Name: 2-benzyl-3-benzylsulfanyl-3-phenyl-isoindolin-1-one CAS Name: 3-phenyl-2-(phenylmethyl)-3-(phenylmethylthio)-1-isoindolone IUPAC Name: 2-benzyl-3-benzylsulfanyl-3-phenylisoindol-1-one Traditional Name: 2-benzyl-3-(benzylthio)-3-phenyl-isoindolin-1-one Formula: C28H23NOS MolecularWeight: 421.55332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C28H23NOS/c30-27-25-18-10-11-19-26(25)28(24-16-8-3-9-17-24,31-21-23-14-6-2-7-15-23)29(27)20-22-12-4-1-5-13-22/h1-19H,20-21H2