N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-14-7-8-16(12-15(14)2)20(10-5-9-19)17(22)13-24-18-6-3-4-11-21(18)23/h3-4,6-8,11-12H,5,10,13H2,1-2H3