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

Systemtic Name: 2-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methylsulfanyl]acetic acid CAS Name: 2-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methylthio]acetic acid IUPAC Name: 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methylthio]acetic acid Formula: C8H11ClN2O2S MolecularWeight: 234.70314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CSCC(=O)O)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CSCC(=O)O)C)Cl

InChI

InChI=1S/C8H11ClN2O2S/c1-5-8(9)6(2)11(10-5)4-14-3-7(12)13/h3-4H2,1-2H3,(H,12,13)