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

Systemtic Name: (4-methylsulfanylphenyl) 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate Openeye Name: (4-methylsulfanylphenyl) 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate CAS Name: 1-[diethylamino(oxo)methyl]-1,2,4-triazole-3-sulfonic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonate Traditional Name: 1-(diethylcarbamoyl)-1,2,4-triazole-3-sulfonic acid [4-(methylthio)phenyl] ester Formula: C14H18N4O4S2 MolecularWeight: 370.44712

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4S2/c1-4-17(5-2)14(19)18-10-15-13(16-18)24(20,21)22-11-6-8-12(23-3)9-7-11/h6-10H,4-5H2,1-3H3