5-ethyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-ethyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-ethyl-1-(p-tolyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-ethyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-ethyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-ethyl-1-(p-tolyl)-1,2,4-triazole-3-carboxylic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1C2=CC=C(C=C2)C)C(=O)O

Isomeric SMILES

CCC1=NC(=NN1C2=CC=C(C=C2)C)C(=O)O

InChI

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