3-[3,5-bis(4-phenylbutylsulfanyl)phenyl]-1-methyl-5-(2-methylphenyl)pyridin-4-one

Systemtic Name: 3-[3,5-bis(4-phenylbutylsulfanyl)phenyl]-1-methyl-5-(2-methylphenyl)pyridin-4-one Openeye Name: 3-[3,5-bis(4-phenylbutylsulfanyl)phenyl]-1-methyl-5-(o-tolyl)pyridin-4-one CAS Name: 3-[3,5-bis(4-phenylbutylthio)phenyl]-1-methyl-5-(2-methylphenyl)-4-pyridinone IUPAC Name: 3-[3,5-bis(4-phenylbutylsulfanyl)phenyl]-1-methyl-5-(2-methylphenyl)pyridin-4-one Traditional Name: 3-[3,5-bis(4-phenylbutylthio)phenyl]-1-methyl-5-(o-tolyl)-4-pyridone Formula: C39H41NOS2 MolecularWeight: 603.87894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN(C=C(C2=O)C3=CC(=CC(=C3)SCCCCC4=CC=CC=C4)SCCCCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC=C1C2=CN(C=C(C2=O)C3=CC(=CC(=C3)SCCCCC4=CC=CC=C4)SCCCCC5=CC=CC=C5)C

InChI

InChI=1S/C39H41NOS2/c1-30-15-9-10-22-36(30)38-29-40(2)28-37(39(38)41)33-25-34(42-23-13-11-20-31-16-5-3-6-17-31)27-35(26-33)43-24-14-12-21-32-18-7-4-8-19-32/h3-10,15-19,22,25-29H,11-14,20-21,23-24H2,1-2H3