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

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

Isomeric SMILES

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

InChI

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