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

Systemtic Name: 2-[(2,5-dimethylpyrazol-3-yl)methylsulfanyl]ethanoate Openeye Name: 2-[(2,5-dimethylpyrazol-3-yl)methylsulfanyl]acetate CAS Name: 2-[(2,5-dimethyl-3-pyrazolyl)methylthio]acetate IUPAC Name: 2-[(2,5-dimethylpyrazol-3-yl)methylsulfanyl]acetate Traditional Name: 2-[(2,5-dimethylpyrazol-3-yl)methylthio]acetate Formula: C8H11N2O2S- MolecularWeight: 199.25014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CSCC(=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1)CSCC(=O)[O-])C

InChI

InChI=1S/C8H12N2O2S/c1-6-3-7(10(2)9-6)4-13-5-8(11)12/h3H,4-5H2,1-2H3,(H,11,12)/p-1