1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Formula: C12H12ClN3O2 MolecularWeight: 265.69558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1C2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CCCC1=NC(=NN1C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C12H12ClN3O2/c1-2-5-10-14-11(12(17)18)15-16(10)9-7-4-3-6-8(9)13/h3-4,6-7H,2,5H2,1H3,(H,17,18)