4-[(3-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(3-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(3-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[(3-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(3-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(3-bromobenzyl)-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C16H12BrN5 MolecularWeight: 354.20398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3

InChI

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