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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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