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

Systemtic Name: 3-[cyclohexylsulfanyl(phenyl)methyl]-6-[3-methyl-4-(pyridin-3-ylmethoxy)phenyl]-2-oxidanyl-pyran-4-one Openeye Name: 3-[cyclohexylsulfanyl(phenyl)methyl]-2-hydroxy-6-[3-methyl-4-(3-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 3-[(cyclohexylthio)-phenylmethyl]-2-hydroxy-6-[3-methyl-4-(3-pyridinylmethoxy)phenyl]-4-pyranone IUPAC Name: 3-[cyclohexylsulfanyl(phenyl)methyl]-2-hydroxy-6-[3-methyl-4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Traditional Name: 3-[(cyclohexylthio)-phenyl-methyl]-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)C(C3=CC=CC=C3)SC4CCCCC4)OCC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)C(C3=CC=CC=C3)SC4CCCCC4)OCC5=CN=CC=C5

InChI

InChI=1S/C31H31NO4S/c1-21-17-24(14-15-27(21)35-20-22-9-8-16-32-19-22)28-18-26(33)29(31(34)36-28)30(23-10-4-2-5-11-23)37-25-12-6-3-7-13-25/h2,4-5,8-11,14-19,25,30,34H,3,6-7,12-13,20H2,1H3