1-[4-[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(2-benzylsulfanylpyridine-3-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[oxo-[2-(phenylmethylthio)-3-pyridinyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(2-benzylsulfanylpyridine-3-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-(benzylthio)nicotinoyl]piperazino]ethanone Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c1-15(23)21-10-12-22(13-11-21)19(24)17-8-5-9-20-18(17)25-14-16-6-3-2-4-7-16/h2-9H,10-14H2,1H3