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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-propyl-6-[[2-(trifluoromethyl)phenyl]methylene]-, (6Z)-
SpectraBase Compound ID BPSQFug0PXa
InChI InChI=1S/C16H13F3N4OS/c1-2-5-12-22-23-13(20)10(14(24)21-15(23)25-12)8-9-6-3-4-7-11(9)16(17,18)19/h3-4,6-8,20H,2,5H2,1H3/b10-8-,20-13?
InChIKey HJYZLPAGIMQRRW-UXIASLOJSA-N
Mol Weight 366.36 g/mol
Molecular Formula C16H13F3N4OS
Exact Mass 366.076217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sW48kovBWH
Name 5-Imino-2-propyl-6-(2-trifluoromethyl-benzylidene)-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Alternate Name(s) (6Z)-5-azanylidene-2-propyl-6-[[2-(trifluoromethyl)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-2-propyl-6-[2-(trifluoromethyl)benzylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-2-propyl-6-[2-(trifluoromethyl)benzylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-2-propyl-6-[[2-(trifluoromethyl)phenyl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-2-propyl-6-[[2-(trifluoromethyl)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Formula C16H13F3N4OS
InChI InChI=1S/C16H13F3N4OS/c1-2-5-12-22-23-13(20)10(14(24)21-15(23)25-12)8-9-6-3-4-7-11(9)16(17,18)19/h3-4,6-8,20H,2,5H2,1H3/b10-8-,20-13?
InChIKey HJYZLPAGIMQRRW-UXIASLOJSA-N
Molecular Weight 366.362 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(CCC)S2)=C\c1c(C(F)(F)F)cccc1
SPLASH splash10-00b9-9811000000-a93570e74024e88429b2
Wiley ID 1465726