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

Systemtic Name: 2-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline Openeye Name: 2-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]-N-(4-pyridylmethyl)aniline CAS Name: 2-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline IUPAC Name: 2-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline Traditional Name: [2-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyridylmethyl)amine Formula: C20H16BrN5 MolecularWeight: 406.27854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN5/c21-16-5-3-4-15(12-16)19-24-20(26-25-19)17-6-1-2-7-18(17)23-13-14-8-10-22-11-9-14/h1-12,23H,13H2,(H,24,25,26)