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

Systemtic Name: 1-(4-bromanyl-2-fluoranyl-phenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-bromo-2-fluoro-phenyl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-(4-bromo-2-fluorophenyl)-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(4-bromo-2-fluorophenyl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-5-propyl-triazole-4-carboxylic acid Formula: C12H11BrFN3O2 MolecularWeight: 328.137043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=C(C=C(C=C2)Br)F)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=C(C=C(C=C2)Br)F)C(=O)O

InChI

InChI=1S/C12H11BrFN3O2/c1-2-3-10-11(12(18)19)15-16-17(10)9-5-4-7(13)6-8(9)14/h4-6H,2-3H2,1H3,(H,18,19)