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

Systemtic Name: N-(3-chloranyl-4-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-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: N-(3-chloro-4-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-(3-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C22H18ClFN3OS+ MolecularWeight: 426.914223

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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=CC(=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClFN3OS/c23-17-12-16(10-11-18(17)24)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