2-[[1-(diethylcarbamoyl)-1,2,4-triazol-3-yl]sulfonyl-bis(fluoranyl)methyl]sulfanylethyl ethanoate

Systemtic Name: 2-[[1-(diethylcarbamoyl)-1,2,4-triazol-3-yl]sulfonyl-bis(fluoranyl)methyl]sulfanylethyl ethanoate Openeye Name: 2-[[1-(diethylcarbamoyl)-1,2,4-triazol-3-yl]sulfonyl-difluoro-methyl]sulfanylethyl acetate CAS Name: acetic acid 2-[[[1-[diethylamino(oxo)methyl]-1,2,4-triazol-3-yl]sulfonyl-difluoromethyl]thio]ethyl ester IUPAC Name: 2-[[1-(diethylcarbamoyl)-1,2,4-triazol-3-yl]sulfonyl-difluoromethyl]sulfanylethyl acetate Traditional Name: acetic acid 2-[[[1-(diethylcarbamoyl)-1,2,4-triazol-3-yl]sulfonyl-difluoro-methyl]thio]ethyl ester Formula: C12H18F2N4O5S2 MolecularWeight: 400.421926

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)C(F)(F)SCCOC(=O)C

Isomeric SMILES

CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)C(F)(F)SCCOC(=O)C

InChI

InChI=1S/C12H18F2N4O5S2/c1-4-17(5-2)11(20)18-8-15-10(16-18)25(21,22)12(13,14)24-7-6-23-9(3)19/h8H,4-7H2,1-3H3