4-[3,5-bis(fluoranyl)phenyl]-2,2-dimethyl-5-(3-methyl-4-methylsulfanyl-phenyl)furan-3-one

Systemtic Name: 4-[3,5-bis(fluoranyl)phenyl]-2,2-dimethyl-5-(3-methyl-4-methylsulfanyl-phenyl)furan-3-one Openeye Name: 4-(3,5-difluorophenyl)-2,2-dimethyl-5-(3-methyl-4-methylsulfanyl-phenyl)furan-3-one CAS Name: 4-(3,5-difluorophenyl)-2,2-dimethyl-5-[3-methyl-4-(methylthio)phenyl]-3-furanone IUPAC Name: 4-(3,5-difluorophenyl)-2,2-dimethyl-5-(3-methyl-4-methylsulfanylphenyl)furan-3-one Traditional Name: 4-(3,5-difluorophenyl)-2,2-dimethyl-5-[3-methyl-4-(methylthio)phenyl]furan-3-one Formula: C20H18F2O2S MolecularWeight: 360.417526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C(=O)C(O2)(C)C)C3=CC(=CC(=C3)F)F)SC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C(=O)C(O2)(C)C)C3=CC(=CC(=C3)F)F)SC

InChI

InChI=1S/C20H18F2O2S/c1-11-7-12(5-6-16(11)25-4)18-17(19(23)20(2,3)24-18)13-8-14(21)10-15(22)9-13/h5-10H,1-4H3