2-(pyridin-4-ylsulfanylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(pyridin-4-ylsulfanylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(4-pyridylsulfanylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[(pyridin-4-ylthio)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(pyridin-4-ylsulfanylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[(4-pyridylthio)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C14H14N2O2S MolecularWeight: 274.33816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)CSC3=CC=NC=C3

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)CSC3=CC=NC=C3

InChI

InChI=1S/C14H14N2O2S/c17-13-11-3-1-2-4-12(11)14(18)16(13)9-19-10-5-7-15-8-6-10/h1-2,5-8,11-12H,3-4,9H2