3-[(4-chloranylpyrazol-1-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-chloranylpyrazol-1-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-chloropyrazol-1-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-chloro-1-pyrazolyl)methylthio]propanoic acid IUPAC Name: 3-[(4-chloropyrazol-1-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-chloropyrazol-1-yl)methylthio]propionic acid Formula: C7H9ClN2O2S MolecularWeight: 220.67656

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CSCCC(=O)O)Cl

Isomeric SMILES

C1=C(C=NN1CSCCC(=O)O)Cl

InChI

InChI=1S/C7H9ClN2O2S/c8-6-3-9-10(4-6)5-13-2-1-7(11)12/h3-4H,1-2,5H2,(H,11,12)