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

Systemtic Name: 2-[[1-(diethylcarbamoyl)-1,2,4-triazol-3-yl]sulfonyl-bis(fluoranyl)methyl]sulfanylethyl benzoate Openeye Name: 2-[[1-(diethylcarbamoyl)-1,2,4-triazol-3-yl]sulfonyl-difluoro-methyl]sulfanylethyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid 2-[[[1-(diethylcarbamoyl)-1,2,4-triazol-3-yl]sulfonyl-difluoro-methyl]thio]ethyl ester Formula: C17H20F2N4O5S2 MolecularWeight: 462.491306

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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)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)C(F)(F)SCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20F2N4O5S2/c1-3-22(4-2)16(25)23-12-20-15(21-23)30(26,27)17(18,19)29-11-10-28-14(24)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3