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

Systemtic Name: 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methylthio]propanoic acid IUPAC Name: 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylthio]propionic acid Formula: C9H13ClN2O2S MolecularWeight: 248.72972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC(C)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CSC(C)C(=O)O)Cl)C

InChI

InChI=1S/C9H13ClN2O2S/c1-5-7(8(10)12(3)11-5)4-15-6(2)9(13)14/h6H,4H2,1-3H3,(H,13,14)