N-(1-cyano-1-cyclopropyl-ethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H15N3O2S/c1-13(9-14,10-5-6-10)15-11(17)8-19-12-4-2-3-7-16(12)18/h2-4,7,10H,5-6,8H2,1H3,(H,15,17)