ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamothioylsulfamoyl]-1,3-diethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamothioylsulfamoyl]-1,3-diethyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamothioylsulfamoyl]-1,3-diethyl-pyrazole-4-carboxylate CAS Name: 5-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-sulfanylidenemethyl]sulfamoyl]-1,3-diethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamothioylsulfamoyl]-1,3-diethylpyrazole-4-carboxylate Traditional Name: 5-[(4,6-dimethoxypyrimidin-2-yl)thiocarbamoylsulfamoyl]-1,3-diethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C17H24N6O6S2 MolecularWeight: 472.53906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)OCC)S(=O)(=O)NC(=S)NC2=NC(=CC(=N2)OC)OC)CC

Isomeric SMILES

CCC1=NN(C(=C1C(=O)OCC)S(=O)(=O)NC(=S)NC2=NC(=CC(=N2)OC)OC)CC

InChI

InChI=1S/C17H24N6O6S2/c1-6-10-13(15(24)29-8-3)14(23(7-2)21-10)31(25,26)22-17(30)20-16-18-11(27-4)9-12(19-16)28-5/h9H,6-8H2,1-5H3,(H2,18,19,20,22,30)