5-[(3-chlorophenyl)methylsulfanyl]-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 5-[(3-chlorophenyl)methylsulfanyl]-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one Openeye Name: 5-[(3-chlorophenyl)methylsulfanyl]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one CAS Name: 5-[(3-chlorophenyl)methylthio]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one IUPAC Name: 5-[(3-chlorophenyl)methylsulfanyl]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one Traditional Name: 5-[(3-chlorobenzyl)thio]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one Formula: C26H23ClO3S MolecularWeight: 450.97702

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(OC1(CCC2=CC=CC=C2)C3=CC=CC=C3)O)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1C(=O)C(=C(OC1(CCC2=CC=CC=C2)C3=CC=CC=C3)O)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H23ClO3S/c27-22-13-7-10-20(16-22)18-31-24-23(28)17-26(30-25(24)29,21-11-5-2-6-12-21)15-14-19-8-3-1-4-9-19/h1-13,16,29H,14-15,17-18H2