N-(5-bromanylpyridin-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-bromo-2-pyridyl)acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-bromopyridin-2-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-bromo-2-pyridyl)acetamide Formula: C21H18BrN4OS+ MolecularWeight: 454.36282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=NC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4OS/c22-16-10-11-19(23-12-16)25-20(27)14-28-21-24-17-8-4-5-9-18(17)26(21)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,25,27)/p+1