1-methylbenzotriazole; 4-(1,2,4-triazol-4-ylamino)benzenecarbonitrile

Systemtic Name: 1-methylbenzotriazole; 4-(1,2,4-triazol-4-ylamino)benzenecarbonitrile Openeye Name: 1-methylbenzotriazole; 4-(1,2,4-triazol-4-ylamino)benzonitrile CAS Name: 1-methylbenzotriazole; 4-(1,2,4-triazol-4-ylamino)benzonitrile IUPAC Name: 1-methylbenzotriazole; 4-(1,2,4-triazol-4-ylamino)benzonitrile Traditional Name: 1-methylbenzotriazole; 4-(1,2,4-triazol-4-ylamino)benzonitrile Formula: C16H14N8 MolecularWeight: 318.33596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=N1.C1=CC(=CC=C1C#N)NN2C=NN=C2

Isomeric SMILES

CN1C2=CC=CC=C2N=N1.C1=CC(=CC=C1C#N)NN2C=NN=C2

InChI

InChI=1S/C9H7N5.C7H7N3/c10-5-8-1-3-9(4-2-8)13-14-6-11-12-7-14;1-10-7-5-3-2-4-6(7)8-9-10/h1-4,6-7,13H;2-5H,1H3