2-(2-pyrazol-1-ylethylsulfanyl)ethanoate

Systemtic Name: 2-(2-pyrazol-1-ylethylsulfanyl)ethanoate Openeye Name: 2-(2-pyrazol-1-ylethylsulfanyl)acetate CAS Name: 2-[2-(1-pyrazolyl)ethylthio]acetate IUPAC Name: 2-(2-pyrazol-1-ylethylsulfanyl)acetate Traditional Name: 2-(2-pyrazol-1-ylethylthio)acetate Formula: C7H9N2O2S- MolecularWeight: 185.22356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CCSCC(=O)[O-]

Isomeric SMILES

C1=CN(N=C1)CCSCC(=O)[O-]

InChI

InChI=1S/C7H10N2O2S/c10-7(11)6-12-5-4-9-3-1-2-8-9/h1-3H,4-6H2,(H,10,11)/p-1