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

Systemtic Name: 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]acetic acid CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methylthio]acetic acid IUPAC Name: 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylthio]acetic acid Formula: C8H11ClN2O2S MolecularWeight: 234.70314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSCC(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CSCC(=O)O)Cl)C

InChI

InChI=1S/C8H11ClN2O2S/c1-5-6(3-14-4-7(12)13)8(9)11(2)10-5/h3-4H2,1-2H3,(H,12,13)