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

Systemtic Name: 3-(2-cyclohexylphenyl)sulfanyl-2-oxidanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Openeye Name: 3-(2-cyclohexylphenyl)sulfanyl-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 3-[(2-cyclohexylphenyl)thio]-2-hydroxy-6-[4-(3-pyridinylmethoxy)phenyl]-4-pyranone IUPAC Name: 3-(2-cyclohexylphenyl)sulfanyl-2-hydroxy-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Traditional Name: 3-[(2-cyclohexylphenyl)thio]-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one Formula: C29H27NO4S MolecularWeight: 485.59398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=CC=C2SC3=C(OC(=CC3=O)C4=CC=C(C=C4)OCC5=CN=CC=C5)O

Isomeric SMILES

C1CCC(CC1)C2=CC=CC=C2SC3=C(OC(=CC3=O)C4=CC=C(C=C4)OCC5=CN=CC=C5)O

InChI

InChI=1S/C29H27NO4S/c31-25-17-26(22-12-14-23(15-13-22)33-19-20-7-6-16-30-18-20)34-29(32)28(25)35-27-11-5-4-10-24(27)21-8-2-1-3-9-21/h4-7,10-18,21,32H,1-3,8-9,19H2