4-[(3-methylbenzotriazol-5-yl)-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(3-methylbenzotriazol-5-yl)-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(3-methylbenzotriazol-5-yl)-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[(3-methyl-5-benzotriazolyl)-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(3-methylbenzotriazol-5-yl)-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(3-methylbenzotriazol-5-yl)-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C16H12N8 MolecularWeight: 316.32008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)N(C3=CC=C(C=C3)C#N)N4C=NN=C4)N=N1

Isomeric SMILES

CN1C2=C(C=CC(=C2)N(C3=CC=C(C=C3)C#N)N4C=NN=C4)N=N1

InChI

InChI=1S/C16H12N8/c1-22-16-8-14(6-7-15(16)20-21-22)24(23-10-18-19-11-23)13-4-2-12(9-17)3-5-13/h2-8,10-11H,1H3