3-[(2-ethylpyrazol-3-yl)methylsulfanyl]propanoate

Systemtic Name: 3-[(2-ethylpyrazol-3-yl)methylsulfanyl]propanoate Openeye Name: 3-[(2-ethylpyrazol-3-yl)methylsulfanyl]propanoate CAS Name: 3-[(2-ethyl-3-pyrazolyl)methylthio]propanoate IUPAC Name: 3-[(2-ethylpyrazol-3-yl)methylsulfanyl]propanoate Traditional Name: 3-[(2-ethylpyrazol-3-yl)methylthio]propionate Formula: C9H13N2O2S- MolecularWeight: 213.27672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N2O2S/c1-2-11-8(3-5-10-11)7-14-6-4-9(12)13/h3,5H,2,4,6-7H2,1H3,(H,12,13)/p-1