5-(2-cyclohexylsulfanylpyridin-4-yl)-3-methyl-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 5-(2-cyclohexylsulfanylpyridin-4-yl)-3-methyl-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 5-(2-cyclohexylsulfanyl-4-pyridyl)-2-hydroxy-3-methyl-6-phenyl-pyran-4-one CAS Name: 5-[2-(cyclohexylthio)-4-pyridinyl]-2-hydroxy-3-methyl-6-phenyl-4-pyranone IUPAC Name: 5-(2-cyclohexylsulfanylpyridin-4-yl)-2-hydroxy-3-methyl-6-phenylpyran-4-one Traditional Name: 5-[2-(cyclohexylthio)-4-pyridyl]-2-hydroxy-3-methyl-6-phenyl-pyran-4-one Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C(C1=O)C2=CC(=NC=C2)SC3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(OC(=C(C1=O)C2=CC(=NC=C2)SC3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C23H23NO3S/c1-15-21(25)20(22(27-23(15)26)16-8-4-2-5-9-16)17-12-13-24-19(14-17)28-18-10-6-3-7-11-18/h2,4-5,8-9,12-14,18,26H,3,6-7,10-11H2,1H3