1-[2,6-bis(chloranyl)-3-methyl-phenyl]-5-tert-butyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-[2,6-bis(chloranyl)-3-methyl-phenyl]-5-tert-butyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(2,6-dichloro-3-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(2,6-dichloro-3-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(2,6-dichloro-3-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(2,6-dichloro-3-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid Formula: C14H15Cl2N3O2 MolecularWeight: 328.1938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2N3O2/c1-7-5-6-8(15)10(9(7)16)19-13(14(2,3)4)17-11(18-19)12(20)21/h5-6H,1-4H3,(H,20,21)