3-(2-methylsulfanylethyl)-6-(pyridin-2-ylmethyl)piperazine-2,5-dione

Systemtic Name: 3-(2-methylsulfanylethyl)-6-(pyridin-2-ylmethyl)piperazine-2,5-dione Openeye Name: 3-(2-methylsulfanylethyl)-6-(2-pyridylmethyl)piperazine-2,5-dione CAS Name: 3-[2-(methylthio)ethyl]-6-(2-pyridinylmethyl)piperazine-2,5-dione IUPAC Name: 3-(2-methylsulfanylethyl)-6-(pyridin-2-ylmethyl)piperazine-2,5-dione Traditional Name: 3-[2-(methylthio)ethyl]-6-(2-pyridylmethyl)piperazine-2,5-quinone Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1C(=O)NC(C(=O)N1)CC2=CC=CC=N2

Isomeric SMILES

CSCCC1C(=O)NC(C(=O)N1)CC2=CC=CC=N2

InChI

InChI=1S/C13H17N3O2S/c1-19-7-5-10-12(17)16-11(13(18)15-10)8-9-4-2-3-6-14-9/h2-4,6,10-11H,5,7-8H2,1H3,(H,15,18)(H,16,17)