methyl 5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 5-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 5-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H17N3O4S2/c1-25-18(22)16-11-17(12-3-7-14(26-2)8-4-12)21(20-16)13-5-9-15(10-6-13)27(19,23)24/h3-11H,1-2H3,(H2,19,23,24)