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

Systemtic Name: 5-tert-butyl-1-(2-chlorophenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(2-chlorophenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(2-chlorophenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(2-chlorophenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(2-chlorophenyl)-1,2,4-triazole-3-carboxylic acid Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1C2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=NN1C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C13H14ClN3O2/c1-13(2,3)12-15-10(11(18)19)16-17(12)9-7-5-4-6-8(9)14/h4-7H,1-3H3,(H,18,19)