N-(3-chloranyl-4-methoxy-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H13ClN2O3S MolecularWeight: 324.78262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-20-12-6-5-10(8-11(12)15)16-13(18)9-21-14-4-2-3-7-17(14)19/h2-8H,9H2,1H3,(H,16,18)