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

Systemtic Name: 2-[(4-methylsulfanylphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[(4-methylsulfanylphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[[4-(methylthio)phenyl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[(4-methylsulfanylphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(methylthio)benzyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C16H17NO2S/c1-20-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16(17)19/h2-3,6-9,13-14H,4-5,10H2,1H3