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

Systemtic Name: 3-methyl-1-[2-(2-oxidanyl-3-pyridin-4-ylsulfanyl-propoxy)phenyl]butan-1-one Openeye Name: 1-[2-[2-hydroxy-3-(4-pyridylsulfanyl)propoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-[2-hydroxy-3-(pyridin-4-ylthio)propoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-(2-hydroxy-3-pyridin-4-ylsulfanylpropoxy)phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-[2-hydroxy-3-(4-pyridylthio)propoxy]phenyl]-3-methyl-butan-1-one Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC=CC=C1OCC(CSC2=CC=NC=C2)O

Isomeric SMILES

CC(C)CC(=O)C1=CC=CC=C1OCC(CSC2=CC=NC=C2)O

InChI

InChI=1S/C19H23NO3S/c1-14(2)11-18(22)17-5-3-4-6-19(17)23-12-15(21)13-24-16-7-9-20-10-8-16/h3-10,14-15,21H,11-13H2,1-2H3