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

Systemtic Name: 3-(2-tert-butyl-5-propan-2-yl-phenyl)sulfanyl-2-oxidanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Openeye Name: 3-(2-tert-butyl-5-isopropyl-phenyl)sulfanyl-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 3-[(2-tert-butyl-5-propan-2-ylphenyl)thio]-2-hydroxy-6-[4-(3-pyridinylmethoxy)phenyl]-4-pyranone IUPAC Name: 3-(2-tert-butyl-5-propan-2-ylphenyl)sulfanyl-2-hydroxy-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Traditional Name: 3-[(2-tert-butyl-5-isopropyl-phenyl)thio]-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one Formula: C30H31NO4S MolecularWeight: 501.63644

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)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/C30H31NO4S/c1-19(2)22-10-13-24(30(3,4)5)27(15-22)36-28-25(32)16-26(35-29(28)33)21-8-11-23(12-9-21)34-18-20-7-6-14-31-17-20/h6-17,19,33H,18H2,1-5H3