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

Systemtic Name: 2-[[5-ethyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-ethyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-ethyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-ethyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H11FN3O2S- MolecularWeight: 280.298043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12FN3O2S/c1-2-10-14-15-12(19-7-11(17)18)16(10)9-5-3-4-8(13)6-9/h3-6H,2,7H2,1H3,(H,17,18)/p-1