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

Systemtic Name: (4-methylphenyl) 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate Openeye Name: p-tolyl 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate CAS Name: 1-[diethylamino(oxo)methyl]-1,2,4-triazole-3-sulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate Traditional Name: 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonic acid p-tolyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4S/c1-4-17(5-2)14(19)18-10-15-13(16-18)23(20,21)22-12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3