N-[(2-chlorophenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-chlorobenzyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H13ClN2O2S MolecularWeight: 308.78322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O2S/c15-12-6-2-1-5-11(12)9-16-13(18)10-20-14-7-3-4-8-17(14)19/h1-8H,9-10H2,(H,16,18)