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

Systemtic Name: 5-ethyl-1-(2-fluoranyl-4-methyl-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(2-fluoro-4-methyl-phenyl)triazole-4-carboxylic acid CAS Name: 5-ethyl-1-(2-fluoro-4-methylphenyl)-4-triazolecarboxylic acid IUPAC Name: 5-ethyl-1-(2-fluoro-4-methylphenyl)triazole-4-carboxylic acid Traditional Name: 5-ethyl-1-(2-fluoro-4-methyl-phenyl)triazole-4-carboxylic acid Formula: C12H12FN3O2 MolecularWeight: 249.240983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=C(C=C(C=C2)C)F)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=C(C=C(C=C2)C)F)C(=O)O

InChI

InChI=1S/C12H12FN3O2/c1-3-9-11(12(17)18)14-15-16(9)10-5-4-7(2)6-8(10)13/h4-6H,3H2,1-2H3,(H,17,18)