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

Systemtic Name: 6-[3-methyl-4-(pyridin-3-ylmethoxy)phenyl]-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one Openeye Name: 2-hydroxy-6-[3-methyl-4-(3-pyridylmethoxy)phenyl]-3-phenethylsulfanyl-pyran-4-one CAS Name: 2-hydroxy-6-[3-methyl-4-(3-pyridinylmethoxy)phenyl]-3-(phenethylthio)-4-pyranone IUPAC Name: 2-hydroxy-6-[3-methyl-4-(pyridin-3-ylmethoxy)phenyl]-3-phenethylsulfanylpyran-4-one Traditional Name: 2-hydroxy-6-[3-methyl-4-(3-pyridylmethoxy)phenyl]-3-(phenethylthio)pyran-4-one Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C26H23NO4S/c1-18-14-21(9-10-23(18)30-17-20-8-5-12-27-16-20)24-15-22(28)25(26(29)31-24)32-13-11-19-6-3-2-4-7-19/h2-10,12,14-16,29H,11,13,17H2,1H3