N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-dibromo-4-nitro-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2,6-dibromo-4-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2,6-dibromo-4-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2,6-dibromo-4-nitro-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C13H9Br2N3O4S MolecularWeight: 463.10126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)[O-]

InChI

InChI=1S/C13H9Br2N3O4S/c14-9-5-8(18(21)22)6-10(15)13(9)16-11(19)7-23-12-3-1-2-4-17(12)20/h1-6H,7H2,(H,16,19)