4-[bis(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[bis(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[bis(1,2,4-triazol-1-yl)methyl]benzonitrile CAS Name: 4-[bis(1,2,4-triazol-1-yl)methyl]benzonitrile IUPAC Name: 4-[bis(1,2,4-triazol-1-yl)methyl]benzonitrile Traditional Name: 4-[bis(1,2,4-triazol-1-yl)methyl]benzonitrile Formula: C12H9N7 MolecularWeight: 251.24676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(N2C=NC=N2)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1C#N)C(N2C=NC=N2)N3C=NC=N3

InChI

InChI=1S/C12H9N7/c13-5-10-1-3-11(4-2-10)12(18-8-14-6-16-18)19-9-15-7-17-19/h1-4,6-9,12H