3-[(2-cyclohexylsulfanylphenyl)methyl]-6-[3-methyl-4-(pyridin-3-ylmethoxy)phenyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(2-cyclohexylsulfanylphenyl)methyl]-6-[3-methyl-4-(pyridin-3-ylmethoxy)phenyl]-2-oxidanyl-pyran-4-one Openeye Name: 3-[(2-cyclohexylsulfanylphenyl)methyl]-2-hydroxy-6-[3-methyl-4-(3-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 3-[[2-(cyclohexylthio)phenyl]methyl]-2-hydroxy-6-[3-methyl-4-(3-pyridinylmethoxy)phenyl]-4-pyranone IUPAC Name: 3-[(2-cyclohexylsulfanylphenyl)methyl]-2-hydroxy-6-[3-methyl-4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Traditional Name: 3-[2-(cyclohexylthio)benzyl]-2-hydroxy-6-[3-methyl-4-(3-pyridylmethoxy)phenyl]pyran-4-one Formula: C31H31NO4S MolecularWeight: 513.64714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)CC3=CC=CC=C3SC4CCCCC4)OCC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)CC3=CC=CC=C3SC4CCCCC4)OCC5=CN=CC=C5

InChI

InChI=1S/C31H31NO4S/c1-21-16-23(13-14-28(21)35-20-22-8-7-15-32-19-22)29-18-27(33)26(31(34)36-29)17-24-9-5-6-12-30(24)37-25-10-3-2-4-11-25/h5-9,12-16,18-19,25,34H,2-4,10-11,17,20H2,1H3