N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(p-tolyl)acetamide Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H17N3O2S/c1-14-6-8-15(9-7-14)19(11-4-10-18)16(21)13-23-17-5-2-3-12-20(17)22/h2-3,5-9,12H,4,11,13H2,1H3