6-[5-(trifluoromethyl)pyridin-2-yl]sulfanylhexan-2-one

Systemtic Name: 6-[5-(trifluoromethyl)pyridin-2-yl]sulfanylhexan-2-one Openeye Name: 6-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]hexan-2-one CAS Name: 6-[[5-(trifluoromethyl)-2-pyridinyl]thio]-2-hexanone IUPAC Name: 6-[5-(trifluoromethyl)pyridin-2-yl]sulfanylhexan-2-one Traditional Name: 6-[[5-(trifluoromethyl)-2-pyridyl]thio]hexan-2-one Formula: C12H14F3NOS MolecularWeight: 277.30587

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCSC1=NC=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(=O)CCCCSC1=NC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C12H14F3NOS/c1-9(17)4-2-3-7-18-11-6-5-10(8-16-11)12(13,14)15/h5-6,8H,2-4,7H2,1H3