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

Systemtic Name: 2-[[4-(3-chloranyl-2-fluoranyl-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-chloro-2-fluoro-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chloro-2-fluorophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-chloro-2-fluorophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chloro-2-fluoro-phenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H10ClFN3O2S- MolecularWeight: 314.743103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClFN3O2S/c1-2-9-15-16-12(20-6-10(18)19)17(9)8-5-3-4-7(13)11(8)14/h3-5H,2,6H2,1H3,(H,18,19)/p-1