methyl 3-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[[4-(methylsulfonylmethyl)benzoyl]amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(methylsulfonylmethyl)benzoyl]amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[[4-(mesylmethyl)benzoyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)NC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

COC(=O)C1=NC(=NN1)NC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C13H14N4O5S/c1-22-12(19)10-14-13(17-16-10)15-11(18)9-5-3-8(4-6-9)7-23(2,20)21/h3-6H,7H2,1-2H3,(H2,14,15,16,17,18)