2-[(S)-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methylsulfinyl]ethanoate

Systemtic Name: 2-[(S)-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methylsulfinyl]ethanoate Openeye Name: 2-[(S)-(4-chloro-3,5-dimethyl-pyrazol-1-yl)methylsulfinyl]acetate CAS Name: 2-[(S)-(4-chloro-3,5-dimethyl-1-pyrazolyl)methylsulfinyl]acetate IUPAC Name: 2-[(S)-(4-chloro-3,5-dimethylpyrazol-1-yl)methylsulfinyl]acetate Traditional Name: 2-[(S)-(4-chloro-3,5-dimethyl-pyrazol-1-yl)methylsulfinyl]acetate Formula: C8H10ClN2O3S- MolecularWeight: 249.6946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CS(=O)CC(=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1C[S@@](=O)CC(=O)[O-])C)Cl

InChI

InChI=1S/C8H11ClN2O3S/c1-5-8(9)6(2)11(10-5)4-15(14)3-7(12)13/h3-4H2,1-2H3,(H,12,13)/p-1/t15-/m0/s1