5-[(5E)-5-diazoimidazol-4-yl]-1-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 5-[(5E)-5-diazoimidazol-4-yl]-1-(phenylmethyl)-1,2,4-triazole Openeye Name: 1-benzyl-5-[(5E)-5-diazoimidazol-4-yl]-1,2,4-triazole CAS Name: 5-[(5E)-5-diazo-4-imidazolyl]-1-(phenylmethyl)-1,2,4-triazole IUPAC Name: 1-benzyl-5-[(5E)-5-diazoimidazol-4-yl]-1,2,4-triazole Traditional Name: 1-benzyl-5-[(5E)-5-diazoimidazol-4-yl]-1,2,4-triazole Formula: C12H9N7 MolecularWeight: 251.24676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC=N2)C3=NC=NC3=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC=N2)C3=NC=NC3=[N+]=[N-]

InChI

InChI=1S/C12H9N7/c13-18-11-10(14-7-15-11)12-16-8-17-19(12)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2