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

Systemtic Name: 1-(2-cyano-3-fluoranyl-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-cyano-3-fluoro-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-cyano-3-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-cyano-3-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-cyano-3-fluoro-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Formula: C13H11FN4O2 MolecularWeight: 274.250443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1C2=C(C(=CC=C2)F)C#N)C(=O)O

Isomeric SMILES

CCCC1=NC(=NN1C2=C(C(=CC=C2)F)C#N)C(=O)O

InChI

InChI=1S/C13H11FN4O2/c1-2-4-11-16-12(13(19)20)17-18(11)10-6-3-5-9(14)8(10)7-15/h3,5-6H,2,4H2,1H3,(H,19,20)