2-[3-[bis(fluoranyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-[bis(fluoranyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-(difluoromethylsulfanyl)-5-propyl-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-(difluoromethylthio)-5-propyl-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-(difluoromethylsulfanyl)-5-propyl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-(difluoromethylthio)-5-propyl-1,2,4-triazol-4-yl]acetate Formula: C8H10F2N3O2S- MolecularWeight: 250.245706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)[O-])SC(F)F

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)[O-])SC(F)F

InChI

InChI=1S/C8H11F2N3O2S/c1-2-3-5-11-12-8(16-7(9)10)13(5)4-6(14)15/h7H,2-4H2,1H3,(H,14,15)/p-1