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

Systemtic Name: 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2/c1-3-5-10-6-8-11(9-7-10)17-12(4-2)15-13(16-17)14(18)19/h6-9H,3-5H2,1-2H3,(H,18,19)