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

Systemtic Name: 2-[(4-bromanylpyrazol-1-yl)methylsulfanyl]ethanoate Openeye Name: 2-[(4-bromopyrazol-1-yl)methylsulfanyl]acetate CAS Name: 2-[(4-bromo-1-pyrazolyl)methylthio]acetate IUPAC Name: 2-[(4-bromopyrazol-1-yl)methylsulfanyl]acetate Traditional Name: 2-[(4-bromopyrazol-1-yl)methylthio]acetate Formula: C6H6BrN2O2S- MolecularWeight: 250.09304

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CSCC(=O)[O-])Br

Isomeric SMILES

C1=C(C=NN1CSCC(=O)[O-])Br

InChI

InChI=1S/C6H7BrN2O2S/c7-5-1-8-9(2-5)4-12-3-6(10)11/h1-2H,3-4H2,(H,10,11)/p-1