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

Systemtic Name: 2-[[4-(4-bromanyl-2-fluoranyl-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-bromo-2-fluoro-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-bromo-2-fluorophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-bromo-2-fluorophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-bromo-2-fluoro-phenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H10BrFN3O2S- MolecularWeight: 359.194103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=C(C=C(C=C2)Br)F)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=C(C=C(C=C2)Br)F)SCC(=O)[O-]

InChI

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