2-[3-(2-methylphenyl)sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(2-methylphenyl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(o-tolylsulfanyl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(2-methylphenyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(2-methylphenyl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-(o-tolylthio)propyl]isoindoline-1,3-quinone Formula: C18H17NO2S MolecularWeight: 311.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=CC=C1SCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17NO2S/c1-13-7-2-5-10-16(13)22-12-6-11-19-17(20)14-8-3-4-9-15(14)18(19)21/h2-5,7-10H,6,11-12H2,1H3