(4-fluorophenyl) 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate

Systemtic Name: (4-fluorophenyl) 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate Openeye Name: (4-fluorophenyl) 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate CAS Name: 1-[diethylamino(oxo)methyl]-1,2,4-triazole-3-sulfonic acid (4-fluorophenyl) ester IUPAC Name: (4-fluorophenyl) 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate Traditional Name: 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonic acid (4-fluorophenyl) ester Formula: C13H15FN4O4S MolecularWeight: 342.346003

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)OC2=CC=C(C=C2)F

Isomeric SMILES

CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)OC2=CC=C(C=C2)F

InChI

InChI=1S/C13H15FN4O4S/c1-3-17(4-2)13(19)18-9-15-12(16-18)23(20,21)22-11-7-5-10(14)6-8-11/h5-9H,3-4H2,1-2H3