3-(4-chlorophenyl)-2-(phenylmethyl)-3-(phenylmethylsulfanyl)isoindol-1-one

Systemtic Name: 3-(4-chlorophenyl)-2-(phenylmethyl)-3-(phenylmethylsulfanyl)isoindol-1-one Openeye Name: 2-benzyl-3-benzylsulfanyl-3-(4-chlorophenyl)isoindolin-1-one CAS Name: 3-(4-chlorophenyl)-2-(phenylmethyl)-3-(phenylmethylthio)-1-isoindolone IUPAC Name: 2-benzyl-3-benzylsulfanyl-3-(4-chlorophenyl)isoindol-1-one Traditional Name: 2-benzyl-3-(benzylthio)-3-(4-chlorophenyl)isoindolin-1-one Formula: C28H22ClNOS MolecularWeight: 455.99838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22ClNOS/c29-24-17-15-23(16-18-24)28(32-20-22-11-5-2-6-12-22)26-14-8-7-13-25(26)27(31)30(28)19-21-9-3-1-4-10-21/h1-18H,19-20H2