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

Systemtic Name: 1-[3-bromanyl-2-oxidanyl-4-(4-pyridin-4-ylsulfanylbutoxy)phenyl]-3-methyl-butan-1-one Openeye Name: 1-[3-bromo-2-hydroxy-4-[4-(4-pyridylsulfanyl)butoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[3-bromo-2-hydroxy-4-[4-(pyridin-4-ylthio)butoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[3-bromo-2-hydroxy-4-(4-pyridin-4-ylsulfanylbutoxy)phenyl]-3-methylbutan-1-one Traditional Name: 1-[3-bromo-2-hydroxy-4-[4-(4-pyridylthio)butoxy]phenyl]-3-methyl-butan-1-one Formula: C20H24BrNO3S MolecularWeight: 438.37846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCSC2=CC=NC=C2)Br)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCSC2=CC=NC=C2)Br)O

InChI

InChI=1S/C20H24BrNO3S/c1-14(2)13-17(23)16-5-6-18(19(21)20(16)24)25-11-3-4-12-26-15-7-9-22-10-8-15/h5-10,14,24H,3-4,11-13H2,1-2H3