1,3-bis(fluoranyl)propan-2-yl 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate

Systemtic Name: 1,3-bis(fluoranyl)propan-2-yl 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate Openeye Name: [2-fluoro-1-(fluoromethyl)ethyl] 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate CAS Name: 1-[diethylamino(oxo)methyl]-1,2,4-triazole-3-sulfonic acid 1,3-difluoropropan-2-yl ester IUPAC Name: 1,3-difluoropropan-2-yl 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate Traditional Name: 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonic acid [2-fluoro-1-(fluoromethyl)ethyl] ester Formula: C10H16F2N4O4S MolecularWeight: 326.320246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)OC(CF)CF

Isomeric SMILES

CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)OC(CF)CF

InChI

InChI=1S/C10H16F2N4O4S/c1-3-15(4-2)10(17)16-7-13-9(14-16)21(18,19)20-8(5-11)6-12/h7-8H,3-6H2,1-2H3