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

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-p-phenetyl-acetamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H19N3O3S/c1-2-24-16-9-7-15(8-10-16)20(12-5-11-19)17(22)14-25-18-6-3-4-13-21(18)23/h3-4,6-10,13H,2,5,12,14H2,1H3