5-methyl-2-(4-phenylsulfanylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 5-methyl-2-(4-phenylsulfanylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 5-methyl-2-(4-phenylsulfanylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 5-methyl-2-[4-(phenylthio)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 5-methyl-2-(4-phenylsulfanylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 5-methyl-2-[4-(phenylthio)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H21NO2S/c1-14-7-12-18-19(13-14)21(24)22(20(18)23)15-8-10-17(11-9-15)25-16-5-3-2-4-6-16/h2-6,8-11,14,18-19H,7,12-13H2,1H3