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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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