3-[3-(2-cyclobutylethylsulfanyl)phenyl]-5-(3,5-dimethylphenyl)-1-methyl-pyridin-4-one

Systemtic Name: 3-[3-(2-cyclobutylethylsulfanyl)phenyl]-5-(3,5-dimethylphenyl)-1-methyl-pyridin-4-one Openeye Name: 3-[3-(2-cyclobutylethylsulfanyl)phenyl]-5-(3,5-dimethylphenyl)-1-methyl-pyridin-4-one CAS Name: 3-[3-(2-cyclobutylethylthio)phenyl]-5-(3,5-dimethylphenyl)-1-methyl-4-pyridinone IUPAC Name: 3-[3-(2-cyclobutylethylsulfanyl)phenyl]-5-(3,5-dimethylphenyl)-1-methylpyridin-4-one Traditional Name: 3-[3-(2-cyclobutylethylthio)phenyl]-5-(3,5-dimethylphenyl)-1-methyl-4-pyridone Formula: C26H29NOS MolecularWeight: 403.57956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)SCCC4CCC4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)SCCC4CCC4)C)C

InChI

InChI=1S/C26H29NOS/c1-18-12-19(2)14-22(13-18)25-17-27(3)16-24(26(25)28)21-8-5-9-23(15-21)29-11-10-20-6-4-7-20/h5,8-9,12-17,20H,4,6-7,10-11H2,1-3H3