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

Systemtic Name: 1-(2-cyano-3-fluoranyl-phenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-cyano-3-fluoro-phenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-cyano-3-fluorophenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-cyano-3-fluorophenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-cyano-3-fluoro-phenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Formula: C12H9FN4O2 MolecularWeight: 260.223863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9FN4O2/c1-2-10-15-11(12(18)19)16-17(10)9-5-3-4-8(13)7(9)6-14/h3-5H,2H2,1H3,(H,18,19)