(3S)-2-(phenylmethyl)-3-(phenylmethylsulfanyl)-3H-isoindol-1-one

Systemtic Name: (3S)-2-(phenylmethyl)-3-(phenylmethylsulfanyl)-3H-isoindol-1-one Openeye Name: (3S)-2-benzyl-3-benzylsulfanyl-isoindolin-1-one CAS Name: (3S)-2-(phenylmethyl)-3-(phenylmethylthio)-3H-isoindol-1-one IUPAC Name: (3S)-2-benzyl-3-benzylsulfanyl-3H-isoindol-1-one Traditional Name: (3S)-2-benzyl-3-(benzylthio)isoindolin-1-one Formula: C22H19NOS MolecularWeight: 345.45736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@H](C3=CC=CC=C3C2=O)SCC4=CC=CC=C4

InChI

InChI=1S/C22H19NOS/c24-21-19-13-7-8-14-20(19)22(25-16-18-11-5-2-6-12-18)23(21)15-17-9-3-1-4-10-17/h1-14,22H,15-16H2/t22-/m0/s1