N-(pyridin-4-ylmethyl)-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]aniline

Systemtic Name: N-(pyridin-4-ylmethyl)-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]aniline Openeye Name: N-(4-pyridylmethyl)-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]aniline CAS Name: N-(pyridin-4-ylmethyl)-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]aniline IUPAC Name: N-(pyridin-4-ylmethyl)-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]aniline Traditional Name: 4-pyridylmethyl-[2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenyl]amine Formula: C21H16F3N5 MolecularWeight: 395.38045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)C3=CC=C(C=C3)C(F)(F)F)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)C3=CC=C(C=C3)C(F)(F)F)NCC4=CC=NC=C4

InChI

InChI=1S/C21H16F3N5/c22-21(23,24)16-7-5-15(6-8-16)19-27-20(29-28-19)17-3-1-2-4-18(17)26-13-14-9-11-25-12-10-14/h1-12,26H,13H2,(H,27,28,29)