1-(2-bromoethyl)-3-(2,4-dimethylphenyl)-5-(phenylmethylsulfanyl)pyridin-4-one

Systemtic Name: 1-(2-bromoethyl)-3-(2,4-dimethylphenyl)-5-(phenylmethylsulfanyl)pyridin-4-one Openeye Name: 3-benzylsulfanyl-1-(2-bromoethyl)-5-(2,4-dimethylphenyl)pyridin-4-one CAS Name: 1-(2-bromoethyl)-3-(2,4-dimethylphenyl)-5-(phenylmethylthio)-4-pyridinone IUPAC Name: 3-benzylsulfanyl-1-(2-bromoethyl)-5-(2,4-dimethylphenyl)pyridin-4-one Traditional Name: 3-(benzylthio)-1-(2-bromoethyl)-5-(2,4-dimethylphenyl)-4-pyridone Formula: C22H22BrNOS MolecularWeight: 428.38518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CN(C=C(C2=O)SCC3=CC=CC=C3)CCBr)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CN(C=C(C2=O)SCC3=CC=CC=C3)CCBr)C

InChI

InChI=1S/C22H22BrNOS/c1-16-8-9-19(17(2)12-16)20-13-24(11-10-23)14-21(22(20)25)26-15-18-6-4-3-5-7-18/h3-9,12-14H,10-11,15H2,1-2H3