4-[6-(phenylmethylsulfanyl)pyridin-3-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[6-(phenylmethylsulfanyl)pyridin-3-yl]carbonylpiperazin-2-one Openeye Name: 4-(6-benzylsulfanylpyridine-3-carbonyl)piperazin-2-one CAS Name: 4-[oxo-[6-(phenylmethylthio)-3-pyridinyl]methyl]-2-piperazinone IUPAC Name: 4-(6-benzylsulfanylpyridine-3-carbonyl)piperazin-2-one Traditional Name: 4-[6-(benzylthio)nicotinoyl]piperazin-2-one Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O2S/c21-15-11-20(9-8-18-15)17(22)14-6-7-16(19-10-14)23-12-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,18,21)