4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-2-one

Systemtic Name: 4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-2-one Openeye Name: 4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-2-one CAS Name: 4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-2-piperazinone IUPAC Name: 4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-2-one Traditional Name: 4-[2-(phenylthio)nicotinoyl]piperazin-2-one Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S/c20-14-11-19(10-9-17-14)16(21)13-7-4-8-18-15(13)22-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,17,20)