3-[(2-methylpyrazol-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-methylpyrazol-3-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-methylpyrazol-3-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-methyl-3-pyrazolyl)methylthio]propanoic acid IUPAC Name: 3-[(2-methylpyrazol-3-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-methylpyrazol-3-yl)methylthio]propionic acid Formula: C8H12N2O2S MolecularWeight: 200.25808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)CSCCC(=O)O

Isomeric SMILES

CN1C(=CC=N1)CSCCC(=O)O

InChI

InChI=1S/C8H12N2O2S/c1-10-7(2-4-9-10)6-13-5-3-8(11)12/h2,4H,3,5-6H2,1H3,(H,11,12)