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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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