4-[1-(4-fluorophenyl)-5-(4-methylperoxysulfanylphenyl)pyrrol-2-yl]butan-2-one

Systemtic Name: 4-[1-(4-fluorophenyl)-5-(4-methylperoxysulfanylphenyl)pyrrol-2-yl]butan-2-one Openeye Name: 4-[1-(4-fluorophenyl)-5-(4-methylperoxysulfanylphenyl)pyrrol-2-yl]butan-2-one CAS Name: 4-[1-(4-fluorophenyl)-5-(3-oxobutyl)-2-pyrrolyl]benzenesulfenic acid methoxy ester IUPAC Name: 4-[1-(4-fluorophenyl)-5-(4-methylperoxysulfanylphenyl)pyrrol-2-yl]butan-2-one Traditional Name: 4-[1-(4-fluorophenyl)-5-[4-(methylperoxythio)phenyl]pyrrol-2-yl]butan-2-one Formula: C21H20FNO3S MolecularWeight: 385.451803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)SOOC

Isomeric SMILES

CC(=O)CCC1=CC=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)SOOC

InChI

InChI=1S/C21H20FNO3S/c1-15(24)3-8-18-11-14-21(23(18)19-9-6-17(22)7-10-19)16-4-12-20(13-5-16)27-26-25-2/h4-7,9-14H,3,8H2,1-2H3