2-[(1-ethylpyrazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: 2-[(1-ethylpyrazol-4-yl)methylsulfanyl]ethanoate Openeye Name: 2-[(1-ethylpyrazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(1-ethyl-4-pyrazolyl)methylthio]acetate IUPAC Name: 2-[(1-ethylpyrazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(1-ethylpyrazol-4-yl)methylthio]acetate Formula: C8H11N2O2S- MolecularWeight: 199.25014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O2S/c1-2-10-4-7(3-9-10)5-13-6-8(11)12/h3-4H,2,5-6H2,1H3,(H,11,12)/p-1