2-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]ethanoate

Systemtic Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]ethanoate Openeye Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]acetate CAS Name: 2-[2-(3,5-dimethyl-1-pyrazolyl)ethylthio]acetate IUPAC Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]acetate Traditional Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethylthio]acetate Formula: C9H13N2O2S- MolecularWeight: 213.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCSCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCSCC(=O)[O-])C

InChI

InChI=1S/C9H14N2O2S/c1-7-5-8(2)11(10-7)3-4-14-6-9(12)13/h5H,3-4,6H2,1-2H3,(H,12,13)/p-1