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

Systemtic Name: 4-methyl-2-[4-(4-methylphenyl)sulfanylphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 4-methyl-2-[4-(p-tolylsulfanyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 4-methyl-2-[4-[(4-methylphenyl)thio]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 4-methyl-2-[4-(4-methylphenyl)sulfanylphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 4-methyl-2-[4-(p-tolylthio)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)SC4=CC=C(C=C4)C

Isomeric SMILES

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)SC4=CC=C(C=C4)C

InChI

InChI=1S/C22H21NO2S/c1-14-6-10-17(11-7-14)26-18-12-8-16(9-13-18)23-21(24)19-5-3-4-15(2)20(19)22(23)25/h3-4,6-13,15,19-20H,5H2,1-2H3