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

Systemtic Name: 1-(4-butylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(4-butylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(4-butylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(4-butylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-butylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)CC

InChI

InChI=1S/C15H19N3O2/c1-3-5-6-11-7-9-12(10-8-11)18-13(4-2)16-14(17-18)15(19)20/h7-10H,3-6H2,1-2H3,(H,19,20)