ethyl 5-[6-(dimethylsulfamoyl)pyridin-2-yl]-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[6-(dimethylsulfamoyl)pyridin-2-yl]-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-5-[6-(dimethylsulfamoyl)-2-pyridyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[6-(dimethylsulfamoyl)-2-pyridinyl]-3-(phenylmethylthio)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-5-[6-(dimethylsulfamoyl)pyridin-2-yl]-1H-pyrazole-4-carboxylate Traditional Name: 3-(benzylthio)-5-[6-(dimethylsulfamoyl)-2-pyridyl]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1SCC2=CC=CC=C2)C3=NC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1SCC2=CC=CC=C2)C3=NC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H22N4O4S2/c1-4-28-20(25)17-18(15-11-8-12-16(21-15)30(26,27)24(2)3)22-23-19(17)29-13-14-9-6-5-7-10-14/h5-12H,4,13H2,1-3H3,(H,22,23)