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

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H17N3O3S/c1-23-15-8-3-2-7-14(15)19(11-6-10-18)16(21)13-24-17-9-4-5-12-20(17)22/h2-5,7-9,12H,6,11,13H2,1H3