2-[(4-chloranylpyrazol-1-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4-chloranylpyrazol-1-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-chloropyrazol-1-yl)methylsulfanyl]acetic acid CAS Name: 2-[(4-chloro-1-pyrazolyl)methylthio]acetic acid IUPAC Name: 2-[(4-chloropyrazol-1-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-chloropyrazol-1-yl)methylthio]acetic acid Formula: C6H7ClN2O2S MolecularWeight: 206.64998

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CSCC(=O)O)Cl

Isomeric SMILES

C1=C(C=NN1CSCC(=O)O)Cl

InChI

InChI=1S/C6H7ClN2O2S/c7-5-1-8-9(2-5)4-12-3-6(10)11/h1-2H,3-4H2,(H,10,11)