N-[2-(cyanomethylsulfanyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])SCC#N

InChI

InChI=1S/C15H13N3O2S2/c16-8-10-21-13-6-2-1-5-12(13)17-14(19)11-22-15-7-3-4-9-18(15)20/h1-7,9H,10-11H2,(H,17,19)