3-(4-methylsulfonylphenyl)-4-phenyl-6-propylsulfanyl-pyran-2-one

Systemtic Name: 3-(4-methylsulfonylphenyl)-4-phenyl-6-propylsulfanyl-pyran-2-one Openeye Name: 3-(4-methylsulfonylphenyl)-4-phenyl-6-propylsulfanyl-pyran-2-one CAS Name: 3-(4-methylsulfonylphenyl)-4-phenyl-6-(propylthio)-2-pyranone IUPAC Name: 3-(4-methylsulfonylphenyl)-4-phenyl-6-propylsulfanylpyran-2-one Traditional Name: 3-(4-mesylphenyl)-4-phenyl-6-(propylthio)pyran-2-one Formula: C21H20O4S2 MolecularWeight: 400.5111

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C(=O)O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=CC(=C(C(=O)O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H20O4S2/c1-3-13-26-19-14-18(15-7-5-4-6-8-15)20(21(22)25-19)16-9-11-17(12-10-16)27(2,23)24/h4-12,14H,3,13H2,1-2H3