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

Systemtic Name: 2-[(2-ethyl-5-methyl-pyrazol-3-yl)methylsulfanyl]ethanoate Openeye Name: 2-[(2-ethyl-5-methyl-pyrazol-3-yl)methylsulfanyl]acetate CAS Name: 2-[(2-ethyl-5-methyl-3-pyrazolyl)methylthio]acetate IUPAC Name: 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]acetate Traditional Name: 2-[(2-ethyl-5-methyl-pyrazol-3-yl)methylthio]acetate Formula: C9H13N2O2S- MolecularWeight: 213.27672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N2O2S/c1-3-11-8(4-7(2)10-11)5-14-6-9(12)13/h4H,3,5-6H2,1-2H3,(H,12,13)/p-1