2-[(4-chlorophenyl)methylsulfanylmethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[[(4-chlorophenyl)methylthio]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[[(4-chlorobenzyl)thio]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H16ClNO2S/c17-12-7-5-11(6-8-12)9-21-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2