4-[(4-bromophenyl)methyl-(1H-1,2,4-triazol-5-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(4-bromophenyl)methyl-(1H-1,2,4-triazol-5-yl)amino]benzenecarbonitrile Openeye Name: 4-[(4-bromophenyl)methyl-(1H-1,2,4-triazol-5-yl)amino]benzonitrile CAS Name: 4-[(4-bromophenyl)methyl-(1H-1,2,4-triazol-5-yl)amino]benzonitrile IUPAC Name: 4-[(4-bromophenyl)methyl-(1H-1,2,4-triazol-5-yl)amino]benzonitrile Traditional Name: 4-[(4-bromobenzyl)-(1H-1,2,4-triazol-5-yl)amino]benzonitrile Formula: C16H12BrN5 MolecularWeight: 354.20398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)C3=NC=NN3)Br

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)C3=NC=NN3)Br

InChI

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