ethyl 3-[(4-methylphenyl)sulfonylamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl 3-[(4-methylphenyl)sulfonylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 3-(p-tolylsulfonylamino)-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[(4-methylphenyl)sulfonylamino]-1H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-methylphenyl)sulfonylamino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-(tosylamino)-1H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NN1)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=NC(=NN1)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C12H14N4O4S/c1-3-20-11(17)10-13-12(15-14-10)16-21(18,19)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,14,15,16)