2-phenylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-phenylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: 2-(phenylthio)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]nicotinamide Formula: C21H14F3N5OS MolecularWeight: 441.42897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4

InChI

InChI=1S/C21H14F3N5OS/c22-21(23,24)14-8-9-18(29-13-25-12-27-29)17(11-14)28-19(30)16-7-4-10-26-20(16)31-15-5-2-1-3-6-15/h1-13H,(H,28,30)