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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCSC2=CC=NC=C2

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCSC2=CC=NC=C2

InChI

InChI=1S/C21H27NO3S/c1-15(2)14-19(23)18-6-7-20(16(3)21(18)24)25-12-4-5-13-26-17-8-10-22-11-9-17/h6-11,15,24H,4-5,12-14H2,1-3H3