4-[1H-1,2,4-triazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]benzenecarbonitrile

Systemtic Name: 4-[1H-1,2,4-triazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]benzenecarbonitrile Openeye Name: 4-[1H-1,2,4-triazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile CAS Name: 4-[1H-1,2,4-triazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile IUPAC Name: 4-[1H-1,2,4-triazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile Traditional Name: 4-[1H-1,2,4-triazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile Formula: C17H11F3N4 MolecularWeight: 328.29125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C(F)(F)F)C3=NC=NN3

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C(F)(F)F)C3=NC=NN3

InChI

InChI=1S/C17H11F3N4/c18-17(19,20)14-7-5-13(6-8-14)15(16-22-10-23-24-16)12-3-1-11(9-21)2-4-12/h1-8,10,15H,(H,22,23,24)