2-butanoyl-5-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]cyclohexane-1,3-dione

Systemtic Name: 2-butanoyl-5-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl]cyclohexane-1,3-dione CAS Name: 2-(1-oxobutyl)-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]cyclohexane-1,3-dione Traditional Name: 2-butyryl-5-[2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethyl]cyclohexane-1,3-quinone Formula: C18H20F3NO3S MolecularWeight: 387.41651

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)CCSC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)CCSC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H20F3NO3S/c1-2-3-13(23)17-14(24)8-11(9-15(17)25)6-7-26-16-5-4-12(10-22-16)18(19,20)21/h4-5,10-11,17H,2-3,6-9H2,1H3