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

Systemtic Name: N-(3,4-dimethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])C

InChI

InChI=1S/C15H16N2O2S/c1-11-6-7-13(9-12(11)2)16-14(18)10-20-15-5-3-4-8-17(15)19/h3-9H,10H2,1-2H3,(H,16,18)