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

Systemtic Name: 3-methyl-1-[3-methyl-2-oxidanyl-4-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[[3-(4-pyridylsulfanylmethyl)phenyl]methoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[[3-[(pyridin-4-ylthio)methyl]phenyl]methoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[3-[(4-pyridylthio)methyl]benzyl]oxy-phenyl]-3-methyl-butan-1-one Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCC2=CC(=CC=C2)CSC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCC2=CC(=CC=C2)CSC3=CC=NC=C3

InChI

InChI=1S/C25H27NO3S/c1-17(2)13-23(27)22-7-8-24(18(3)25(22)28)29-15-19-5-4-6-20(14-19)16-30-21-9-11-26-12-10-21/h4-12,14,17,28H,13,15-16H2,1-3H3