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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)CSC3=CC=CC=N3

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)CSC3=CC=CC=N3

InChI

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