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

Systemtic Name: 2-[3-(phenylmethylsulfanyl)propyl]isoindole-1,3-dione Openeye Name: 2-(3-benzylsulfanylpropyl)isoindoline-1,3-dione CAS Name: 2-[3-(phenylmethylthio)propyl]isoindole-1,3-dione IUPAC Name: 2-(3-benzylsulfanylpropyl)isoindole-1,3-dione Traditional Name: 2-[3-(benzylthio)propyl]isoindoline-1,3-quinone Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)CSCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17NO2S/c20-17-15-9-4-5-10-16(15)18(21)19(17)11-6-12-22-13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2