2-[4-(phenylmethylsulfanyl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(phenylmethylsulfanyl)butyl]isoindole-1,3-dione Openeye Name: 2-(4-benzylsulfanylbutyl)isoindoline-1,3-dione CAS Name: 2-[4-(phenylmethylthio)butyl]isoindole-1,3-dione IUPAC Name: 2-(4-benzylsulfanylbutyl)isoindole-1,3-dione Traditional Name: 2-[4-(benzylthio)butyl]isoindoline-1,3-quinone Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)CSCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H19NO2S/c21-18-16-10-4-5-11-17(16)19(22)20(18)12-6-7-13-23-14-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2