3-[(1-ethyl-3-methyl-pyrazol-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(1-ethyl-3-methyl-pyrazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(1-ethyl-3-methyl-pyrazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(1-ethyl-3-methyl-4-pyrazolyl)methylthio]propanoic acid IUPAC Name: 3-[(1-ethyl-3-methylpyrazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthio]propionic acid Formula: C10H16N2O2S MolecularWeight: 228.31124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CSCCC(=O)O

Isomeric SMILES

CCN1C=C(C(=N1)C)CSCCC(=O)O

InChI

InChI=1S/C10H16N2O2S/c1-3-12-6-9(8(2)11-12)7-15-5-4-10(13)14/h6H,3-5,7H2,1-2H3,(H,13,14)