5-ethyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-ethyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-ethyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid CAS Name: 5-ethyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-ethyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-ethyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid Formula: C12H10F3N3O2 MolecularWeight: 285.22191

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1C2=CC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=NC(=NN1C2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H10F3N3O2/c1-2-9-16-10(11(19)20)17-18(9)8-5-3-7(4-6-8)12(13,14)15/h3-6H,2H2,1H3,(H,19,20)