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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CSCCC(=O)O)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CSCCC(=O)O)C)Cl

InChI

InChI=1S/C9H13ClN2O2S/c1-6-9(10)7(2)12(11-6)5-15-4-3-8(13)14/h3-5H2,1-2H3,(H,13,14)