4-bromanyl-1,3-dimethyl-5-methylsulfanylperoxy-pyrazole

Systemtic Name: 4-bromanyl-1,3-dimethyl-5-methylsulfanylperoxy-pyrazole Openeye Name: 4-bromo-1,3-dimethyl-5-methylsulfanylperoxy-pyrazole CAS Name: methanesulfenic acid (4-bromo-2,5-dimethyl-3-pyrazolyl)oxy ester IUPAC Name: 4-bromo-1,3-dimethyl-5-methylsulfanylperoxypyrazole Traditional Name: 4-bromo-1,3-dimethyl-5-(methylthio)peroxy-pyrazole Formula: C6H9BrN2O2S MolecularWeight: 253.11686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)OOSC)C

Isomeric SMILES

CC1=NN(C(=C1Br)OOSC)C

InChI

InChI=1S/C6H9BrN2O2S/c1-4-5(7)6(9(2)8-4)10-11-12-3/h1-3H3