[4-bromanyl-2-[1-(2-methylsulfanylphenyl)pyrazol-4-yl]carbonyl-phenyl] ethaneperoxoate

Systemtic Name: [4-bromanyl-2-[1-(2-methylsulfanylphenyl)pyrazol-4-yl]carbonyl-phenyl] ethaneperoxoate Openeye Name: [4-bromo-2-[1-(2-methylsulfanylphenyl)pyrazole-4-carbonyl]phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [4-bromo-2-[[1-[2-(methylthio)phenyl]-4-pyrazolyl]-oxomethyl]phenyl] ester IUPAC Name: [4-bromo-2-[1-(2-methylsulfanylphenyl)pyrazole-4-carbonyl]phenyl] ethaneperoxoate Traditional Name: peracetic acid [4-bromo-2-[1-[2-(methylthio)phenyl]pyrazole-4-carbonyl]phenyl] ester Formula: C19H15BrN2O4S MolecularWeight: 447.3024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOC1=C(C=C(C=C1)Br)C(=O)C2=CN(N=C2)C3=CC=CC=C3SC

Isomeric SMILES

CC(=O)OOC1=C(C=C(C=C1)Br)C(=O)C2=CN(N=C2)C3=CC=CC=C3SC

InChI

InChI=1S/C19H15BrN2O4S/c1-12(23)25-26-17-8-7-14(20)9-15(17)19(24)13-10-21-22(11-13)16-5-3-4-6-18(16)27-2/h3-11H,1-2H3