5-methyl-1-(3-propan-2-ylphenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-methyl-1-(3-propan-2-ylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(3-isopropylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid CAS Name: 5-methyl-1-(3-propan-2-ylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-methyl-1-(3-propan-2-ylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-m-cumenyl-5-methyl-1,2,4-triazole-3-carboxylic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=CC(=C2)C(C)C)C(=O)O

Isomeric SMILES

CC1=NC(=NN1C2=CC=CC(=C2)C(C)C)C(=O)O

InChI

InChI=1S/C13H15N3O2/c1-8(2)10-5-4-6-11(7-10)16-9(3)14-12(15-16)13(17)18/h4-8H,1-3H3,(H,17,18)