3,5-bis(benzotriazol-1-ylmethylamino)benzenecarbonitrile

Systemtic Name: 3,5-bis(benzotriazol-1-ylmethylamino)benzenecarbonitrile Openeye Name: 3,5-bis(benzotriazol-1-ylmethylamino)benzonitrile CAS Name: 3,5-bis(1-benzotriazolylmethylamino)benzonitrile IUPAC Name: 3,5-bis(benzotriazol-1-ylmethylamino)benzonitrile Traditional Name: 3,5-bis(benzotriazol-1-ylmethylamino)benzonitrile Formula: C21H17N9 MolecularWeight: 395.41998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CNC3=CC(=CC(=C3)C#N)NCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CNC3=CC(=CC(=C3)C#N)NCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H17N9/c22-12-15-9-16(23-13-29-20-7-3-1-5-18(20)25-27-29)11-17(10-15)24-14-30-21-8-4-2-6-19(21)26-28-30/h1-11,23-24H,13-14H2