3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-2-oxidanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one

Systemtic Name: 3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-2-oxidanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Openeye Name: 2-hydroxy-3-(2-isopropyl-5-methyl-phenyl)sulfanyl-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 2-hydroxy-3-[(5-methyl-2-propan-2-ylphenyl)thio]-6-[4-(3-pyridinylmethoxy)phenyl]-4-pyranone IUPAC Name: 2-hydroxy-3-(5-methyl-2-propan-2-ylphenyl)sulfanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Traditional Name: 2-hydroxy-3-[(2-isopropyl-5-methyl-phenyl)thio]-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one Formula: C27H25NO4S MolecularWeight: 459.5567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)O

InChI

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