N-(3,4-dimethoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S/c1-20-12-7-6-11(9-13(12)21-2)16-14(18)10-22-15-5-3-4-8-17(15)19/h3-9H,10H2,1-2H3,(H,16,18)