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

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

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)Br)N3C=NN=C3)C#N

InChI

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