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

Systemtic Name: 5-tert-butyl-1-(3-fluoranyl-4-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(3-fluoro-4-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(3-fluoro-4-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(3-fluoro-4-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(3-fluoro-4-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid Formula: C14H16FN3O2 MolecularWeight: 277.294143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16FN3O2/c1-8-5-6-9(7-10(8)15)18-13(14(2,3)4)16-11(17-18)12(19)20/h5-7H,1-4H3,(H,19,20)