2-[[4-(4-bromanyl-2-fluoranyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(4-bromanyl-2-fluoranyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-bromo-2-fluoro-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-bromo-2-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-bromo-2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-bromo-2-fluoro-phenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C10H6BrFN3O2S- MolecularWeight: 331.140943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)N2C=NN=C2SCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)F)N2C=NN=C2SCC(=O)[O-]

InChI

InChI=1S/C10H7BrFN3O2S/c11-6-1-2-8(7(12)3-6)15-5-13-14-10(15)18-4-9(16)17/h1-3,5H,4H2,(H,16,17)/p-1