3-[3,5-dimethyl-4-(2-methylsulfanylethylsulfamoyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3,5-dimethyl-4-(2-methylsulfanylethylsulfamoyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[3,5-dimethyl-4-(2-methylsulfanylethylsulfamoyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3,5-dimethyl-4-[2-(methylthio)ethylsulfamoyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-4-(2-methylsulfanylethylsulfamoyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3,5-dimethyl-4-[2-(methylthio)ethylsulfamoyl]pyrazol-1-yl]propionic acid Formula: C11H19N3O4S2 MolecularWeight: 321.41626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)O)C)S(=O)(=O)NCCSC

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)O)C)S(=O)(=O)NCCSC

InChI

InChI=1S/C11H19N3O4S2/c1-8-11(20(17,18)12-5-7-19-3)9(2)14(13-8)6-4-10(15)16/h12H,4-7H2,1-3H3,(H,15,16)