2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanal

Systemtic Name: 2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanal Openeye Name: 3-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-2-(4-methylsulfanylphenyl)propanal CAS Name: 3-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]-2-[4-(methylthio)phenyl]propanal IUPAC Name: 2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanal Traditional Name: 3-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-2-[4-(methylthio)phenyl]propionaldehyde Formula: C29H29NO3S2 MolecularWeight: 503.67546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CC(C=O)C4=CC=C(C=C4)SC)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CC(C=O)C4=CC=C(C=C4)SC)S(=O)(=O)C

InChI

InChI=1S/C29H29NO3S2/c1-29(2,35(4,32)33)25-17-23-9-6-14-30-28(23)27(18-25)22-8-5-7-20(15-22)16-24(19-31)21-10-12-26(34-3)13-11-21/h5-15,17-19,24H,16H2,1-4H3