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

Systemtic Name: 2-[(4-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 2-[(4-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 2-[(4-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 2-[(4-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 2-[(4-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=C(C(=C1)C#N)N(CC2=CC=C(C=C2)Br)N3C=NN=C3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)N(CC2=CC=C(C=C2)Br)N3C=NN=C3

InChI

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