4-(2-propan-2-ylsulfanylpyridin-3-yl)carbonylpiperazin-2-one

Systemtic Name: 4-(2-propan-2-ylsulfanylpyridin-3-yl)carbonylpiperazin-2-one Openeye Name: 4-(2-isopropylsulfanylpyridine-3-carbonyl)piperazin-2-one CAS Name: 4-[oxo-[2-(propan-2-ylthio)-3-pyridinyl]methyl]-2-piperazinone IUPAC Name: 4-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperazin-2-one Traditional Name: 4-[2-(isopropylthio)nicotinoyl]piperazin-2-one Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)N2CCNC(=O)C2

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)N2CCNC(=O)C2

InChI

InChI=1S/C13H17N3O2S/c1-9(2)19-12-10(4-3-5-15-12)13(18)16-7-6-14-11(17)8-16/h3-5,9H,6-8H2,1-2H3,(H,14,17)