N-(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H11BrN4O3S MolecularWeight: 395.23114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=C3C(=C2)NC(=O)N3)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=C3C(=C2)NC(=O)N3)Br)[O-]

InChI

InChI=1S/C14H11BrN4O3S/c15-8-5-10-11(18-14(21)17-10)6-9(8)16-12(20)7-23-13-3-1-2-4-19(13)22/h1-6H,7H2,(H,16,20)(H2,17,18,21)