N-(1H-benzimidazol-2-yl)-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(1H-benzimidazol-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(1H-benzimidazol-2-yl)-2-(2,2,2-trifluoroethylthio)-3-pyridinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(1H-benzimidazol-2-yl)-2-(2,2,2-trifluoroethylthio)nicotinamide Formula: C15H11F3N4OS MolecularWeight: 352.33425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=C(N=CC=C3)SCC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=C(N=CC=C3)SCC(F)(F)F

InChI

InChI=1S/C15H11F3N4OS/c16-15(17,18)8-24-13-9(4-3-7-19-13)12(23)22-14-20-10-5-1-2-6-11(10)21-14/h1-7H,8H2,(H2,20,21,22,23)