4-methyl-2-(4-phenylsulfanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 4-methyl-2-(4-phenylsulfanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 4-methyl-2-(4-phenylsulfanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 4-methyl-2-[4-(phenylthio)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 4-methyl-2-(4-phenylsulfanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 4-methyl-2-[4-(phenylthio)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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