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(6E)-5-azanylidene-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

View entire compound with spectra: 1 MS (GC)

(6E)-5-azanylidene-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID HbJJVYvhtfD
InChI InChI=1S/C20H12F4N4O2S/c21-15-4-2-1-3-12(15)10-30-13-7-5-11(6-8-13)9-14-16(25)28-19(26-17(14)29)31-18(27-28)20(22,23)24/h1-9,25H,10H2/b14-9+,25-16?
InChIKey JCEGQKNWKHNHRA-OMDCXGFUSA-N
Mol Weight 448.4 g/mol
Molecular Formula C20H12F4N4O2S
Exact Mass 448.061709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58PdBfyGazq
Name (6E)-5-azanylidene-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Alternate Name(s) (6E)-6-[4-(2-fluorobenzyl)oxybenzylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Formula C20H12F4N4O2S
InChI InChI=1S/C20H12F4N4O2S/c21-15-4-2-1-3-12(15)10-30-13-7-5-11(6-8-13)9-14-16(25)28-19(26-17(14)29)31-18(27-28)20(22,23)24/h1-9,25H,10H2/b14-9+,25-16?
InChIKey JCEGQKNWKHNHRA-OMDCXGFUSA-N
Molecular Weight 448.396 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(C(F)(F)F)S2)=C/c1ccc(OCc2c(F)cccc2)cc1
SPLASH splash10-0a4i-2900000000-c3db53326d05b7440510
Wiley ID 1443051