N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-ethanoylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-ethanoylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-N-[2-[(4-chlorophenyl)thio]phenyl]acetamide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[2-[(4-chlorophenyl)thio]phenyl]acetamide Formula: C21H18ClN2O2S+ MolecularWeight: 397.89782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O2S/c1-15(25)16-5-4-12-24(13-16)14-21(26)23-19-6-2-3-7-20(19)27-18-10-8-17(22)9-11-18/h2-13H,14H2,1H3/p+1