2-[4-(4-methylphenyl)sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-methylphenyl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(p-tolylsulfanyl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-methylphenyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-methylphenyl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-(p-tolylthio)butyl]isoindoline-1,3-quinone Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H19NO2S/c1-14-8-10-15(11-9-14)23-13-5-4-12-20-18(21)16-6-2-3-7-17(16)19(20)22/h2-3,6-11H,4-5,12-13H2,1H3