4-(4-methylsulfonylphenyl)-3-propan-2-ylsulfanyl-6-(trifluoromethyl)pyran-2-one

Systemtic Name: 4-(4-methylsulfonylphenyl)-3-propan-2-ylsulfanyl-6-(trifluoromethyl)pyran-2-one Openeye Name: 3-isopropylsulfanyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyran-2-one CAS Name: 4-(4-methylsulfonylphenyl)-3-(propan-2-ylthio)-6-(trifluoromethyl)-2-pyranone IUPAC Name: 4-(4-methylsulfonylphenyl)-3-propan-2-ylsulfanyl-6-(trifluoromethyl)pyran-2-one Traditional Name: 3-(isopropylthio)-4-(4-mesylphenyl)-6-(trifluoromethyl)pyran-2-one Formula: C16H15F3O4S2 MolecularWeight: 392.41311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=C(OC1=O)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)SC1=C(C=C(OC1=O)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H15F3O4S2/c1-9(2)24-14-12(8-13(16(17,18)19)23-15(14)20)10-4-6-11(7-5-10)25(3,21)22/h4-9H,1-3H3