5-imidazol-1-yl-3-[2,2,2-tris(fluoranyl)ethyl]-1H-benzimidazole-2-thione

Systemtic Name: 5-imidazol-1-yl-3-[2,2,2-tris(fluoranyl)ethyl]-1H-benzimidazole-2-thione Openeye Name: 5-imidazol-1-yl-3-(2,2,2-trifluoroethyl)-1H-benzimidazole-2-thione CAS Name: 5-(1-imidazolyl)-3-(2,2,2-trifluoroethyl)-1H-benzimidazole-2-thione IUPAC Name: 5-imidazol-1-yl-3-(2,2,2-trifluoroethyl)-1H-benzimidazole-2-thione Traditional Name: 5-imidazol-1-yl-3-(2,2,2-trifluoroethyl)-1H-benzimidazole-2-thione Formula: C12H9F3N4S MolecularWeight: 298.28687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N3C=CN=C3)N(C(=S)N2)CC(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1N3C=CN=C3)N(C(=S)N2)CC(F)(F)F

InChI

InChI=1S/C12H9F3N4S/c13-12(14,15)6-19-10-5-8(18-4-3-16-7-18)1-2-9(10)17-11(19)20/h1-5,7H,6H2,(H,17,20)