5-tert-butyl-1-(2-ethylphenyl)-1,2,4-triazole-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NC(=N2)C(=O)O)C(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NC(=N2)C(=O)O)C(C)(C)C

InChI

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