4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutan-2-one

Systemtic Name: 4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutan-2-one Openeye Name: 4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]butan-2-one CAS Name: 4-[[5-(trifluoromethyl)-2-pyridinyl]thio]-2-butanone IUPAC Name: 4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutan-2-one Traditional Name: 4-[[5-(trifluoromethyl)-2-pyridyl]thio]butan-2-one Formula: C10H10F3NOS MolecularWeight: 249.25271

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NC=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(=O)CCSC1=NC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C10H10F3NOS/c1-7(15)4-5-16-9-3-2-8(6-14-9)10(11,12)13/h2-3,6H,4-5H2,1H3