4-[(3-methylbenzotriazol-5-yl)-(1,2,3,4-tetrazol-2-yl)methyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)C#N)N4N=CN=N4)N=N1

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)C#N)N4N=CN=N4)N=N1

InChI

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