4-(3,5-diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile

Systemtic Name: 4-(3,5-diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile Openeye Name: 4-(3,5-diphenyl-1,2,4-triazol-4-yl)phthalonitrile CAS Name: 4-(3,5-diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile IUPAC Name: 4-(3,5-diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile Traditional Name: 4-(3,5-diphenyl-1,2,4-triazol-4-yl)phthalonitrile Formula: C22H13N5 MolecularWeight: 347.37212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)C#N)C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)C#N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H13N5/c23-14-18-11-12-20(13-19(18)15-24)27-21(16-7-3-1-4-8-16)25-26-22(27)17-9-5-2-6-10-17/h1-13H