1-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropan-2-one

Systemtic Name: 1-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropan-2-one Openeye Name: 1-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propan-2-one CAS Name: 1-[[5-(trifluoromethyl)-2-pyridinyl]thio]-2-propanone IUPAC Name: 1-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropan-2-one Traditional Name: 1-[[5-(trifluoromethyl)-2-pyridyl]thio]acetone Formula: C9H8F3NOS MolecularWeight: 235.22613

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(=O)CSC1=NC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C9H8F3NOS/c1-6(14)5-15-8-3-2-7(4-13-8)9(10,11)12/h2-4H,5H2,1H3