phenyl-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methanone

Systemtic Name: phenyl-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methanone Openeye Name: phenyl-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methanone CAS Name: [4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1-piperazinyl]-phenylmethanone IUPAC Name: phenyl-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methanone Traditional Name: phenyl-[4-[2-(phenylthio)nicotinoyl]piperazino]methanone Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c27-22(18-8-3-1-4-9-18)25-14-16-26(17-15-25)23(28)20-12-7-13-24-21(20)29-19-10-5-2-6-11-19/h1-13H,14-17H2