5-(2-methylphenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazole

Systemtic Name: 5-(2-methylphenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazole Openeye Name: 3-isobutoxy-5-(o-tolyl)-1H-1,2,4-triazole CAS Name: 5-(2-methylphenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazole IUPAC Name: 5-(2-methylphenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazole Traditional Name: 3-isobutoxy-5-(o-tolyl)-1H-1,2,4-triazole Formula: C13H17N3O MolecularWeight: 231.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NN2)OCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NN2)OCC(C)C

InChI

InChI=1S/C13H17N3O/c1-9(2)8-17-13-14-12(15-16-13)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H,14,15,16)