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

Systemtic Name: 3,3-dimethyl-1-[3-methyl-2-oxidanyl-4-[(4-pyridin-4-ylsulfanylphenyl)methoxy]phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[[4-(4-pyridylsulfanyl)phenyl]methoxy]phenyl]-3,3-dimethyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[[4-(pyridin-4-ylthio)phenyl]methoxy]phenyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-[(4-pyridin-4-ylsulfanylphenyl)methoxy]phenyl]-3,3-dimethylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[4-(4-pyridylthio)benzyl]oxy-phenyl]-3,3-dimethyl-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)C)OCC2=CC=C(C=C2)SC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)(C)C)OCC2=CC=C(C=C2)SC3=CC=NC=C3

InChI

InChI=1S/C25H27NO3S/c1-17-23(10-9-21(24(17)28)22(27)15-25(2,3)4)29-16-18-5-7-19(8-6-18)30-20-11-13-26-14-12-20/h5-14,28H,15-16H2,1-4H3