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

Systemtic Name: 3-methyl-1-[3-methyl-2-oxidanyl-4-(4-pyridin-2-ylsulfanylbutoxy)phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[4-(2-pyridylsulfanyl)butoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[4-(2-pyridinylthio)butoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-(4-pyridin-2-ylsulfanylbutoxy)phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[4-(2-pyridylthio)butoxy]phenyl]-3-methyl-butan-1-one Formula: C21H27NO3S MolecularWeight: 373.50898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCSC2=CC=CC=N2

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCSC2=CC=CC=N2

InChI

InChI=1S/C21H27NO3S/c1-15(2)14-18(23)17-9-10-19(16(3)21(17)24)25-12-6-7-13-26-20-8-4-5-11-22-20/h4-5,8-11,15,24H,6-7,12-14H2,1-3H3