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

Systemtic Name: N-(2-cyanoethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-phenyl-acetamide Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c17-10-6-11-18(14-7-2-1-3-8-14)15(20)13-22-16-9-4-5-12-19(16)21/h1-5,7-9,12H,6,11,13H2