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

Systemtic Name: 5-tert-butyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(p-tolyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(p-tolyl)-1,2,4-triazole-3-carboxylic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C14H17N3O2/c1-9-5-7-10(8-6-9)17-13(14(2,3)4)15-11(16-17)12(18)19/h5-8H,1-4H3,(H,18,19)