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

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H14FN3O2S MolecularWeight: 331.364663

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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-])F

Isomeric SMILES

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

InChI

InChI=1S/C16H14FN3O2S/c17-13-6-1-2-7-14(13)19(10-5-9-18)15(21)12-23-16-8-3-4-11-20(16)22/h1-4,6-8,11H,5,10,12H2