N-(3-bromanyl-4-methyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H13BrN2O2S MolecularWeight: 353.23422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O2S/c1-10-5-6-11(8-12(10)15)16-13(18)9-20-14-4-2-3-7-17(14)19/h2-8H,9H2,1H3,(H,16,18)