5-tert-butyl-1-(2-chloranyl-4,6-dimethyl-phenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(2-chloranyl-4,6-dimethyl-phenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(2-chloro-4,6-dimethyl-phenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(2-chloro-4,6-dimethylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(2-chloro-4,6-dimethylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(2-chloro-4,6-dimethyl-phenyl)-1,2,4-triazole-3-carboxylic acid Formula: C15H18ClN3O2 MolecularWeight: 307.77532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O2/c1-8-6-9(2)11(10(16)7-8)19-14(15(3,4)5)17-12(18-19)13(20)21/h6-7H,1-5H3,(H,20,21)