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

Systemtic Name: 2-oxidanyl-3-phenethylsulfanyl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-4-one Openeye Name: 2-hydroxy-3-phenethylsulfanyl-6-[4-(2-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 2-hydroxy-3-(phenethylthio)-6-[4-(2-pyridinylmethoxy)phenyl]-4-pyranone IUPAC Name: 2-hydroxy-3-phenethylsulfanyl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-4-one Traditional Name: 2-hydroxy-3-(phenethylthio)-6-[4-(2-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=CC=CC=N4)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CC=CC=N4)O

InChI

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