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

Systemtic Name: 2-[[4-(5-bromanyl-2-fluoranyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(5-bromo-2-fluoro-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(5-bromo-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(5-bromo-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(5-bromo-2-fluoro-phenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H9BrFN3O2S MolecularWeight: 346.175463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C=CC(=C2)Br)F)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2=C(C=CC(=C2)Br)F)SCC(=O)O

InChI

InChI=1S/C11H9BrFN3O2S/c1-6-14-15-11(19-5-10(17)18)16(6)9-4-7(12)2-3-8(9)13/h2-4H,5H2,1H3,(H,17,18)