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

Systemtic Name: 5-cyclopropyl-1-(4-fluoranyl-2-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-cyclopropyl-1-(4-fluoro-2-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-cyclopropyl-1-(4-fluoro-2-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-cyclopropyl-1-(4-fluoro-2-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-cyclopropyl-1-(4-fluoro-2-methyl-phenyl)-1,2,4-triazole-3-carboxylic acid Formula: C13H12FN3O2 MolecularWeight: 261.251683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)N2C(=NC(=N2)C(=O)O)C3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)F)N2C(=NC(=N2)C(=O)O)C3CC3

InChI

InChI=1S/C13H12FN3O2/c1-7-6-9(14)4-5-10(7)17-12(8-2-3-8)15-11(16-17)13(18)19/h4-6,8H,2-3H2,1H3,(H,18,19)