3-(2,5-ditert-butylphenyl)sulfanyl-2-oxidanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one

Systemtic Name: 3-(2,5-ditert-butylphenyl)sulfanyl-2-oxidanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Openeye Name: 3-(2,5-ditert-butylphenyl)sulfanyl-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 3-[(2,5-ditert-butylphenyl)thio]-2-hydroxy-6-[4-(3-pyridinylmethoxy)phenyl]-4-pyranone IUPAC Name: 3-(2,5-ditert-butylphenyl)sulfanyl-2-hydroxy-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Traditional Name: 3-[(2,5-ditert-butylphenyl)thio]-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one Formula: C31H33NO4S MolecularWeight: 515.66302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33NO4S/c1-30(2,3)22-11-14-24(31(4,5)6)27(16-22)37-28-25(33)17-26(36-29(28)34)21-9-12-23(13-10-21)35-19-20-8-7-15-32-18-20/h7-18,34H,19H2,1-6H3