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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C13H10BrN3O4S MolecularWeight: 384.2052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN3O4S/c14-10-7-9(17(20)21)4-5-11(10)15-12(18)8-22-13-3-1-2-6-16(13)19/h1-7H,8H2,(H,15,18)