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

Systemtic Name: phenyl 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate Openeye Name: phenyl 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate CAS Name: 1-[diethylamino(oxo)methyl]-1,2,4-triazole-3-sulfonic acid phenyl ester IUPAC Name: phenyl 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate Traditional Name: 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonic acid phenyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4S/c1-3-16(4-2)13(18)17-10-14-12(15-17)22(19,20)21-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3