N-(4-chlorophenyl)-2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-chlorophenyl)-2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(4-chlorophenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-(3-cyano-4,6-dimethylpyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(4-chlorophenyl)-2-[(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)thio]acetamide Formula: C16H15ClN3OS+ MolecularWeight: 332.8278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SCC(=O)NC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SCC(=O)NC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H14ClN3OS/c1-10-7-11(2)19-16(14(10)8-18)22-9-15(21)20-13-5-3-12(17)4-6-13/h3-7H,9H2,1-2H3,(H,20,21)/p+1