3-[(2-cyclohexylsulfanylpyridin-4-yl)methyl]-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-[(2-cyclohexylsulfanylpyridin-4-yl)methyl]-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-[(2-cyclohexylsulfanyl-4-pyridyl)methyl]-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-[[2-(cyclohexylthio)-4-pyridinyl]methyl]-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-[(2-cyclohexylsulfanylpyridin-4-yl)methyl]-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[[2-(cyclohexylthio)-4-pyridyl]methyl]-2-hydroxy-6-phenyl-pyran-4-one Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC=CC(=C2)CC3=C(OC(=CC3=O)C4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)SC2=NC=CC(=C2)CC3=C(OC(=CC3=O)C4=CC=CC=C4)O

InChI

InChI=1S/C23H23NO3S/c25-20-15-21(17-7-3-1-4-8-17)27-23(26)19(20)13-16-11-12-24-22(14-16)28-18-9-5-2-6-10-18/h1,3-4,7-8,11-12,14-15,18,26H,2,5-6,9-10,13H2