5,6-dimethyl-2-(2-methylsulfanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5,6-dimethyl-2-(2-methylsulfanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5,6-dimethyl-2-(2-methylsulfanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5,6-dimethyl-2-[2-(methylthio)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5,6-dimethyl-2-(2-methylsulfanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5,6-dimethyl-2-[2-(methylthio)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3SC)C

Isomeric SMILES

CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3SC)C

InChI

InChI=1S/C17H19NO2S/c1-10-8-12-13(9-11(10)2)17(20)18(16(12)19)14-6-4-5-7-15(14)21-3/h4-7,12-13H,8-9H2,1-3H3