3-methyl-5-[1-(4-methylperoxysulfanylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]-1,2,4-oxadiazole

Systemtic Name: 3-methyl-5-[1-(4-methylperoxysulfanylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]-1,2,4-oxadiazole Openeye Name: 3-methyl-5-[2-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-1-(4-methylperoxysulfanylphenyl)ethyl]-1,2,4-oxadiazole CAS Name: 4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]ethyl]benzenesulfenic acid methoxy ester IUPAC Name: 3-methyl-5-[1-(4-methylperoxysulfanylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]-1,2,4-oxadiazole Traditional Name: 5-[2-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-1-[4-(methylperoxythio)phenyl]ethyl]-3-methyl-1,2,4-oxadiazole Formula: C31H31N3O5S2 MolecularWeight: 589.72494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C(CC2=CC=CC(=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)C5=CC=C(C=C5)SOOC

Isomeric SMILES

CC1=NOC(=N1)C(CC2=CC=CC(=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)C5=CC=C(C=C5)SOOC

InChI

InChI=1S/C31H31N3O5S2/c1-20-33-30(38-34-20)28(22-11-13-26(14-12-22)40-39-37-4)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,35)36)18-24-10-7-15-32-29(24)27/h6-16,18-19,28H,17H2,1-5H3