1-[[3-(benzotriazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]benzotriazole

Systemtic Name: 1-[[3-(benzotriazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]benzotriazole Openeye Name: 1-[[3-(benzotriazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]benzotriazole CAS Name: 1-[[3-(1-benzotriazolylmethyl)-1H-1,2,4-triazol-5-yl]methyl]benzotriazole IUPAC Name: 1-[[3-(benzotriazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]benzotriazole Traditional Name: 1-[[3-(benzotriazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]benzotriazole Formula: C16H13N9 MolecularWeight: 331.33472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=NC(=NN3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=NC(=NN3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C16H13N9/c1-3-7-13-11(5-1)18-22-24(13)9-15-17-16(21-20-15)10-25-14-8-4-2-6-12(14)19-23-25/h1-8H,9-10H2,(H,17,20,21)