N-(4-bromanyl-2-fluoranyl-phenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C22H18BrFN3OS+ MolecularWeight: 471.365223

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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=C(C=C(C=C4)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrFN3OS/c23-16-10-11-18(17(24)12-16)25-21(28)14-29-22-26-19-8-4-5-9-20(19)27(22)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,28)/p+1