3-(3-butylphenyl)-5-(3-cyclopentylsulfinylphenyl)-1-methyl-pyridin-4-one

Systemtic Name: 3-(3-butylphenyl)-5-(3-cyclopentylsulfinylphenyl)-1-methyl-pyridin-4-one Openeye Name: 3-(3-butylphenyl)-5-(3-cyclopentylsulfinylphenyl)-1-methyl-pyridin-4-one CAS Name: 3-(3-butylphenyl)-5-(3-cyclopentylsulfinylphenyl)-1-methyl-4-pyridinone IUPAC Name: 3-(3-butylphenyl)-5-(3-cyclopentylsulfinylphenyl)-1-methylpyridin-4-one Traditional Name: 3-(3-butylphenyl)-5-(3-cyclopentylsulfinylphenyl)-1-methyl-4-pyridone Formula: C27H31NO2S MolecularWeight: 433.60554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)S(=O)C4CCCC4)C

Isomeric SMILES

CCCCC1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)S(=O)C4CCCC4)C

InChI

InChI=1S/C27H31NO2S/c1-3-4-9-20-10-7-11-21(16-20)25-18-28(2)19-26(27(25)29)22-12-8-15-24(17-22)31(30)23-13-5-6-14-23/h7-8,10-12,15-19,23H,3-6,9,13-14H2,1-2H3