5-propan-2-yl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-propan-2-yl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-isopropyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-propan-2-yl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-propan-2-yl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-isopropyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid Formula: C15H19N3O2 MolecularWeight: 273.33026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C(C)C

InChI

InChI=1S/C15H19N3O2/c1-4-5-11-6-8-12(9-7-11)18-14(10(2)3)16-13(17-18)15(19)20/h6-10H,4-5H2,1-3H3,(H,19,20)