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

Systemtic Name: ethyl 1-[6-(dimethylsulfamoyl)pyridin-2-yl]-5-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-benzylsulfanyl-1-[6-(dimethylsulfamoyl)-2-pyridyl]pyrazole-4-carboxylate CAS Name: 1-[6-(dimethylsulfamoyl)-2-pyridinyl]-5-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzylsulfanyl-1-[6-(dimethylsulfamoyl)pyridin-2-yl]pyrazole-4-carboxylate Traditional Name: 5-(benzylthio)-1-[6-(dimethylsulfamoyl)-2-pyridyl]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(N(N=C1)C2=NC(=CC=C2)S(=O)(=O)N(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CC=C2)S(=O)(=O)N(C)C)SCC3=CC=CC=C3

InChI

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