ethyl 5-[(4-methylsulfanylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-methylsulfanylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-methylsulfanylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[[4-(methylthio)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-methylsulfanylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[4-(methylthio)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C13H15N3O4S2 MolecularWeight: 341.4059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C13H15N3O4S2/c1-3-20-13(17)11-8-14-15-12(11)22(18,19)16-9-4-6-10(21-2)7-5-9/h4-8,16H,3H2,1-2H3,(H,14,15)