1-[4-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-[(3,4-dimethylphenyl)thio]nicotinoyl]piperazino]ethanone Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C20H23N3O2S/c1-14-6-7-17(13-15(14)2)26-19-18(5-4-8-21-19)20(25)23-11-9-22(10-12-23)16(3)24/h4-8,13H,9-12H2,1-3H3