4-[5-methyl-4-(phenylcarbonyl)-1,2,3-triazol-1-yl]-1H-imidazole-5-carbonitrile

Systemtic Name: 4-[5-methyl-4-(phenylcarbonyl)-1,2,3-triazol-1-yl]-1H-imidazole-5-carbonitrile Openeye Name: 4-(4-benzoyl-5-methyl-triazol-1-yl)-1H-imidazole-5-carbonitrile CAS Name: 4-(4-benzoyl-5-methyl-1-triazolyl)-1H-imidazole-5-carbonitrile IUPAC Name: 4-(4-benzoyl-5-methyltriazol-1-yl)-1H-imidazole-5-carbonitrile Traditional Name: 4-(4-benzoyl-5-methyl-triazol-1-yl)-1H-imidazole-5-carbonitrile Formula: C14H10N6O MolecularWeight: 278.2688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=C(NC=N2)C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=NN1C2=C(NC=N2)C#N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H10N6O/c1-9-12(13(21)10-5-3-2-4-6-10)18-19-20(9)14-11(7-15)16-8-17-14/h2-6,8H,1H3,(H,16,17)