(3E)-3-(phenylmethylidene)-2-(phenylsulfanylmethyl)isoindol-1-one

Systemtic Name: (3E)-3-(phenylmethylidene)-2-(phenylsulfanylmethyl)isoindol-1-one Openeye Name: (3E)-3-benzylidene-2-(phenylsulfanylmethyl)isoindolin-1-one CAS Name: (3E)-3-(phenylmethylene)-2-[(phenylthio)methyl]-1-isoindolone IUPAC Name: (3E)-3-benzylidene-2-(phenylsulfanylmethyl)isoindol-1-one Traditional Name: (3E)-3-benzal-2-[(phenylthio)methyl]isoindolin-1-one Formula: C22H17NOS MolecularWeight: 343.44148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)N2CSC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/2\C3=CC=CC=C3C(=O)N2CSC4=CC=CC=C4

InChI

InChI=1S/C22H17NOS/c24-22-20-14-8-7-13-19(20)21(15-17-9-3-1-4-10-17)23(22)16-25-18-11-5-2-6-12-18/h1-15H,16H2/b21-15+