3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]benzenecarbonitrile bromide

Systemtic Name: 3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]benzenecarbonitrile bromide Openeye Name: 3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]benzonitrile bromide CAS Name: 3-[[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thio]methyl]benzonitrile bromide IUPAC Name: 3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]benzonitrile bromide Traditional Name: 3-[[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thio]methyl]benzonitrile bromide Formula: C16H10BrF3N3S- MolecularWeight: 413.23491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)C#N.[Br-]

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)C#N.[Br-]

InChI

InChI=1S/C16H10F3N3S.BrH/c17-16(18,19)12-4-5-13-14(7-12)22-15(21-13)23-9-11-3-1-2-10(6-11)8-20;/h1-7H,9H2,(H,21,22);1H/p-1