3-methyl-1-[3-methyl-2-oxidanyl-4-[(2-pyridin-4-ylsulfanylphenyl)methoxy]phenyl]butan-1-one

Systemtic Name: 3-methyl-1-[3-methyl-2-oxidanyl-4-[(2-pyridin-4-ylsulfanylphenyl)methoxy]phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[[2-(4-pyridylsulfanyl)phenyl]methoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[[2-(pyridin-4-ylthio)phenyl]methoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-[(2-pyridin-4-ylsulfanylphenyl)methoxy]phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[2-(4-pyridylthio)benzyl]oxy-phenyl]-3-methyl-butan-1-one Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCC2=CC=CC=C2SC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCC2=CC=CC=C2SC3=CC=NC=C3

InChI

InChI=1S/C24H25NO3S/c1-16(2)14-21(26)20-8-9-22(17(3)24(20)27)28-15-18-6-4-5-7-23(18)29-19-10-12-25-13-11-19/h4-13,16,27H,14-15H2,1-3H3