4-[(2-bromophenyl)methyl-(1,2,4-triazol-1-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(2-bromophenyl)methyl-(1,2,4-triazol-1-yl)amino]benzenecarbonitrile Openeye Name: 4-[(2-bromophenyl)methyl-(1,2,4-triazol-1-yl)amino]benzonitrile CAS Name: 4-[(2-bromophenyl)methyl-(1,2,4-triazol-1-yl)amino]benzonitrile IUPAC Name: 4-[(2-bromophenyl)methyl-(1,2,4-triazol-1-yl)amino]benzonitrile Traditional Name: 4-[(2-bromobenzyl)-(1,2,4-triazol-1-yl)amino]benzonitrile Formula: C16H12BrN5 MolecularWeight: 354.20398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN(C2=CC=C(C=C2)C#N)N3C=NC=N3)Br

Isomeric SMILES

C1=CC=C(C(=C1)CN(C2=CC=C(C=C2)C#N)N3C=NC=N3)Br

InChI

InChI=1S/C16H12BrN5/c17-16-4-2-1-3-14(16)10-21(22-12-19-11-20-22)15-7-5-13(9-18)6-8-15/h1-8,11-12H,10H2