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

Systemtic Name: 2-oxidanyl-3-phenethylsulfanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Openeye Name: 2-hydroxy-3-phenethylsulfanyl-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 2-hydroxy-3-(phenethylthio)-6-[4-(3-pyridinylmethoxy)phenyl]-4-pyranone IUPAC Name: 2-hydroxy-3-phenethylsulfanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Traditional Name: 2-hydroxy-3-(phenethylthio)-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)O

InChI

InChI=1S/C25H21NO4S/c27-22-15-23(30-25(28)24(22)31-14-12-18-5-2-1-3-6-18)20-8-10-21(11-9-20)29-17-19-7-4-13-26-16-19/h1-11,13,15-16,28H,12,14,17H2