2-[3-methoxy-3-(4-methylphenyl)sulfanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-methoxy-3-(4-methylphenyl)sulfanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-methoxy-3-(p-tolylsulfanyl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-methoxy-3-[(4-methylphenyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-methoxy-3-(4-methylphenyl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-methoxy-3-(p-tolylthio)propyl]isoindoline-1,3-quinone Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCN2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCN2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C19H19NO3S/c1-13-7-9-14(10-8-13)24-17(23-2)11-12-20-18(21)15-5-3-4-6-16(15)19(20)22/h3-10,17H,11-12H2,1-2H3