N-(4-bromophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C13H11BrN2O2S MolecularWeight: 339.20764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=CC=C(C=C2)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=CC=C(C=C2)Br)[O-]

InChI

InChI=1S/C13H11BrN2O2S/c14-10-4-6-11(7-5-10)15-12(17)9-19-13-3-1-2-8-16(13)18/h1-8H,9H2,(H,15,17)