2-(2-sulfanylphenyl)-3a,4,5,6-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(2-sulfanylphenyl)-3a,4,5,6-tetrahydroisoindole-1,3-dione Openeye Name: 2-(2-sulfanylphenyl)-3a,4,5,6-tetrahydroisoindole-1,3-dione CAS Name: 2-(2-mercaptophenyl)-3a,4,5,6-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(2-sulfanylphenyl)-3a,4,5,6-tetrahydroisoindole-1,3-dione Traditional Name: 2-(2-mercaptophenyl)-3a,4,5,6-tetrahydroisoindole-1,3-quinone Formula: C14H13NO2S MolecularWeight: 259.32352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC=C2C(C1)C(=O)N(C2=O)C3=CC=CC=C3S

Isomeric SMILES

C1CC=C2C(C1)C(=O)N(C2=O)C3=CC=CC=C3S

InChI

InChI=1S/C14H13NO2S/c16-13-9-5-1-2-6-10(9)14(17)15(13)11-7-3-4-8-12(11)18/h3-5,7-8,10,18H,1-2,6H2