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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[2-(trifluoromethyl)phenyl]methylene]-, (6Z)-
SpectraBase Compound ID 4Fb7pRpK99U
InChI InChI=1S/C16H13F3N4OS/c1-8(2)14-22-23-12(20)10(13(24)21-15(23)25-14)7-9-5-3-4-6-11(9)16(17,18)19/h3-8,20H,1-2H3/b10-7-,20-12?
InChIKey OCUJFFXPEGMULR-IILAUFJGSA-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 5d58IPxv9ZD
Name 5-Imino-2-isopropyl-6-(2-trifluoromethyl-benzylidene)-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Alternate Name(s) (6Z)-5-azanylidene-2-propan-2-yl-6-[[2-(trifluoromethyl)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-2-isopropyl-6-[2-(trifluoromethyl)benzylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-2-isopropyl-6-[[2-(trifluoromethyl)phenyl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-2-propan-2-yl-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/c1-8(2)14-22-23-12(20)10(13(24)21-15(23)25-14)7-9-5-3-4-6-11(9)16(17,18)19/h3-8,20H,1-2H3/b10-7-,20-12?
InChIKey OCUJFFXPEGMULR-IILAUFJGSA-N
Molecular Weight 366.362 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(C(C)C)S2)=C\c1c(C(F)(F)F)cccc1
SPLASH splash10-0096-8920000000-08fcc1b19860f62e7e78
Wiley ID 1465727