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

Systemtic Name: 2-[[4-(3-chloranyl-2-fluoranyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-chloro-2-fluoro-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chloro-2-fluoro-phenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C11H8ClFN3O2S- MolecularWeight: 300.716523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C(=CC=C2)Cl)F)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=C(C(=CC=C2)Cl)F)SCC(=O)[O-]

InChI

InChI=1S/C11H9ClFN3O2S/c1-6-14-15-11(19-5-9(17)18)16(6)8-4-2-3-7(12)10(8)13/h2-4H,5H2,1H3,(H,17,18)/p-1