2-[[4-(5-bromanyl-2-fluoranyl-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(5-bromanyl-2-fluoranyl-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(5-bromo-2-fluoro-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(5-bromo-2-fluorophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(5-bromo-2-fluorophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(5-bromo-2-fluoro-phenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H11BrFN3O2S MolecularWeight: 360.202043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=C(C=CC(=C2)Br)F)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C2=C(C=CC(=C2)Br)F)SCC(=O)O

InChI

InChI=1S/C12H11BrFN3O2S/c1-2-10-15-16-12(20-6-11(18)19)17(10)9-5-7(13)3-4-8(9)14/h3-5H,2,6H2,1H3,(H,18,19)