3-[4-(4-cyanophenyl)-1,2,3-triazol-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(4-cyanophenyl)-1,2,3-triazol-1-yl]benzenecarbonitrile Openeye Name: 3-[4-(4-cyanophenyl)triazol-1-yl]benzonitrile CAS Name: 3-[4-(4-cyanophenyl)-1-triazolyl]benzonitrile IUPAC Name: 3-[4-(4-cyanophenyl)triazol-1-yl]benzonitrile Traditional Name: 3-[4-(4-cyanophenyl)triazol-1-yl]benzonitrile Formula: C16H9N5 MolecularWeight: 271.27616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=C(N=N2)C3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C=C(N=N2)C3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C16H9N5/c17-9-12-4-6-14(7-5-12)16-11-21(20-19-16)15-3-1-2-13(8-15)10-18/h1-8,11H