N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl)[O-]

InChI

InChI=1S/C16H14ClN3O2S/c17-13-5-3-6-14(11-13)19(9-4-8-18)15(21)12-23-16-7-1-2-10-20(16)22/h1-3,5-7,10-11H,4,9,12H2