methyl 2-[[1-(2,6-dimethoxy-1H-pyrimidin-2-yl)-5-oxidanylidene-1,2,4-triazol-4-yl]sulfamoyl]benzoate

Systemtic Name: methyl 2-[[1-(2,6-dimethoxy-1H-pyrimidin-2-yl)-5-oxidanylidene-1,2,4-triazol-4-yl]sulfamoyl]benzoate Openeye Name: methyl 2-[[1-(2,6-dimethoxy-1H-pyrimidin-2-yl)-5-oxo-1,2,4-triazol-4-yl]sulfamoyl]benzoate CAS Name: 2-[[1-(2,6-dimethoxy-1H-pyrimidin-2-yl)-5-oxo-1,2,4-triazol-4-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(2,6-dimethoxy-1H-pyrimidin-2-yl)-5-oxo-1,2,4-triazol-4-yl]sulfamoyl]benzoate Traditional Name: 2-[[1-(2,6-dimethoxy-1H-pyrimidin-2-yl)-5-keto-1,2,4-triazol-4-yl]sulfamoyl]benzoic acid methyl ester Formula: C16H18N6O7S MolecularWeight: 438.41512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=NC(N1)(N2C(=O)N(C=N2)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)OC

Isomeric SMILES

COC1=CC=NC(N1)(N2C(=O)N(C=N2)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)OC

InChI

InChI=1S/C16H18N6O7S/c1-27-13-8-9-17-16(19-13,29-3)22-15(24)21(10-18-22)20-30(25,26)12-7-5-4-6-11(12)14(23)28-2/h4-10,19-20H,1-3H3