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

Systemtic Name: 2-[3,5-dimethyl-4-(2-methylsulfanylethylsulfamoyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-(2-methylsulfanylethylsulfamoyl)pyrazol-1-yl]acetic acid CAS Name: 2-[3,5-dimethyl-4-[2-(methylthio)ethylsulfamoyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-(2-methylsulfanylethylsulfamoyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[3,5-dimethyl-4-[2-(methylthio)ethylsulfamoyl]pyrazol-1-yl]acetic acid Formula: C10H17N3O4S2 MolecularWeight: 307.38968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)NCCSC

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)NCCSC

InChI

InChI=1S/C10H17N3O4S2/c1-7-10(19(16,17)11-4-5-18-3)8(2)13(12-7)6-9(14)15/h11H,4-6H2,1-3H3,(H,14,15)