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

Systemtic Name: 6-[3-methyl-4-(pyridin-3-ylmethoxy)phenyl]-2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one Openeye Name: 2-hydroxy-3-(2-isopropylphenyl)sulfanyl-6-[3-methyl-4-(3-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 2-hydroxy-6-[3-methyl-4-(3-pyridinylmethoxy)phenyl]-3-[(2-propan-2-ylphenyl)thio]-4-pyranone IUPAC Name: 2-hydroxy-6-[3-methyl-4-(pyridin-3-ylmethoxy)phenyl]-3-(2-propan-2-ylphenyl)sulfanylpyran-4-one Traditional Name: 2-hydroxy-6-[3-methyl-4-(3-pyridylmethoxy)phenyl]-3-(o-cumenylthio)pyran-4-one Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C)OCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C)OCC4=CN=CC=C4

InChI

InChI=1S/C27H25NO4S/c1-17(2)21-8-4-5-9-25(21)33-26-22(29)14-24(32-27(26)30)20-10-11-23(18(3)13-20)31-16-19-7-6-12-28-15-19/h4-15,17,30H,16H2,1-3H3