2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluoranyl-4-methoxy-phenyl)ethanone bromide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluoranyl-4-methoxy-phenyl)ethanone bromide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluoro-4-methoxy-phenyl)ethanone bromide CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(2-fluoro-4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluoro-4-methoxyphenyl)ethanone bromide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(2-fluoro-4-methoxy-phenyl)ethanone bromide Formula: C16H13BrFN2O2S- MolecularWeight: 396.254023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2)F.[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2)F.[Br-]

InChI

InChI=1S/C16H13FN2O2S.BrH/c1-21-10-6-7-11(12(17)8-10)15(20)9-22-16-18-13-4-2-3-5-14(13)19-16;/h2-8H,9H2,1H3,(H,18,19);1H/p-1