5-tert-butyl-1-(4-chloranyl-2-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(4-chloranyl-2-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(4-chloro-2-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(4-chloro-2-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(4-chloro-2-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(4-chloro-2-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid Formula: C14H16ClN3O2 MolecularWeight: 293.74874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O2/c1-8-7-9(15)5-6-10(8)18-13(14(2,3)4)16-11(17-18)12(19)20/h5-7H,1-4H3,(H,19,20)