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

Systemtic Name: 3,3-dimethyl-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]-3,3-dimethyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[[3-[(pyridin-4-ylthio)methyl]phenyl]methoxy]phenyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[3-[(4-pyridylthio)methyl]benzyl]oxy-phenyl]-3,3-dimethyl-butan-1-one Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO3S/c1-18-24(9-8-22(25(18)29)23(28)15-26(2,3)4)30-16-19-6-5-7-20(14-19)17-31-21-10-12-27-13-11-21/h5-14,29H,15-17H2,1-4H3