N-(cyanomethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-phenyl-acetamide Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c16-9-11-17(13-6-2-1-3-7-13)14(19)12-21-15-8-4-5-10-18(15)20/h1-8,10H,11-12H2