3-[2-carboxyethylsulfanyl-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]thio]propionic acid Formula: C12H17ClN2O4S2 MolecularWeight: 352.85738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(SCCC(=O)O)SCCC(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(SCCC(=O)O)SCCC(=O)O)Cl)C

InChI

InChI=1S/C12H17ClN2O4S2/c1-7-10(11(13)15(2)14-7)12(20-5-3-8(16)17)21-6-4-9(18)19/h12H,3-6H2,1-2H3,(H,16,17)(H,18,19)