3-methyl-3-(4-methylsulfanylphenoxy)-1-pyridin-2-yl-butan-2-one

Systemtic Name: 3-methyl-3-(4-methylsulfanylphenoxy)-1-pyridin-2-yl-butan-2-one Openeye Name: 3-methyl-3-(4-methylsulfanylphenoxy)-1-(2-pyridyl)butan-2-one CAS Name: 3-methyl-3-[4-(methylthio)phenoxy]-1-(2-pyridinyl)-2-butanone IUPAC Name: 3-methyl-3-(4-methylsulfanylphenoxy)-1-pyridin-2-ylbutan-2-one Traditional Name: 3-methyl-3-[4-(methylthio)phenoxy]-1-(2-pyridyl)butan-2-one Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CC1=CC=CC=N1)OC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C(=O)CC1=CC=CC=N1)OC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H19NO2S/c1-17(2,16(19)12-13-6-4-5-11-18-13)20-14-7-9-15(21-3)10-8-14/h4-11H,12H2,1-3H3