N-(2-cyano-3-methyl-butan-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C13H17N3O2S/c1-10(2)13(3,9-14)15-11(17)8-19-12-6-4-5-7-16(12)18/h4-7,10H,8H2,1-3H3,(H,15,17)