2-[4-(4-methylphenyl)sulfanylphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-(4-methylphenyl)sulfanylphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(p-tolylsulfanyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-[(4-methylphenyl)thio]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(4-methylphenyl)sulfanylphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(p-tolylthio)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C21H19NO2S/c1-14-6-10-16(11-7-14)25-17-12-8-15(9-13-17)22-20(23)18-4-2-3-5-19(18)21(22)24/h2-3,6-13,18-19H,4-5H2,1H3