3-[(2-ethyl-5-methyl-pyrazol-3-yl)methylsulfanyl]propanoate

Systemtic Name: 3-[(2-ethyl-5-methyl-pyrazol-3-yl)methylsulfanyl]propanoate Openeye Name: 3-[(2-ethyl-5-methyl-pyrazol-3-yl)methylsulfanyl]propanoate CAS Name: 3-[(2-ethyl-5-methyl-3-pyrazolyl)methylthio]propanoate IUPAC Name: 3-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]propanoate Traditional Name: 3-[(2-ethyl-5-methyl-pyrazol-3-yl)methylthio]propionate Formula: C10H15N2O2S- MolecularWeight: 227.3033

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)CSCCC(=O)[O-]

Isomeric SMILES

CCN1C(=CC(=N1)C)CSCCC(=O)[O-]

InChI

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