N-(1-cyanocyclohexyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H17N3O2S/c15-11-14(7-3-1-4-8-14)16-12(18)10-20-13-6-2-5-9-17(13)19/h2,5-6,9H,1,3-4,7-8,10H2,(H,16,18)