2-oxidanyl-3-(phenylmethylsulfanyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one

Systemtic Name: 2-oxidanyl-3-(phenylmethylsulfanyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Openeye Name: 3-benzylsulfanyl-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 2-hydroxy-3-(phenylmethylthio)-6-[4-(3-pyridinylmethoxy)phenyl]-4-pyranone IUPAC Name: 3-benzylsulfanyl-2-hydroxy-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Traditional Name: 3-(benzylthio)-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one Formula: C24H19NO4S MolecularWeight: 417.47696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)O

InChI

InChI=1S/C24H19NO4S/c26-21-13-22(29-24(27)23(21)30-16-17-5-2-1-3-6-17)19-8-10-20(11-9-19)28-15-18-7-4-12-25-14-18/h1-14,27H,15-16H2