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

Systemtic Name: 1-(2-ethylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-ethylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-ethylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-ethylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-ethylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NC(=N2)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NC(=N2)C(=O)O)C

InChI

InChI=1S/C12H13N3O2/c1-3-9-6-4-5-7-10(9)15-8(2)13-11(14-15)12(16)17/h4-7H,3H2,1-2H3,(H,16,17)