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

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(6E)-5-azanylidene-6-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 5R8gGeoZQCE
InChI InChI=1S/C21H14F4N4O3S/c1-31-16-9-11(6-7-15(16)32-10-12-4-2-3-5-14(12)22)8-13-17(26)29-20(27-18(13)30)33-19(28-29)21(23,24)25/h2-9,26H,10H2,1H3/b13-8+,26-17?
InChIKey SISXJSDJFFFKLU-HYQOKDGDSA-N
Mol Weight 478.42 g/mol
Molecular Formula C21H14F4N4O3S
Exact Mass 478.072274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PSq791c9tC
Name (6E)-5-azanylidene-6-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Alternate Name(s) (6E)-6-[4-(2-fluorobenzyl)oxy-3-methoxy-benzylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-6-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-6-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Formula C21H14F4N4O3S
InChI InChI=1S/C21H14F4N4O3S/c1-31-16-9-11(6-7-15(16)32-10-12-4-2-3-5-14(12)22)8-13-17(26)29-20(27-18(13)30)33-19(28-29)21(23,24)25/h2-9,26H,10H2,1H3/b13-8+,26-17?
InChIKey SISXJSDJFFFKLU-HYQOKDGDSA-N
Molecular Weight 478.422 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(C(F)(F)F)S2)=C/c1cc(OC)c(cc1)OCc1c(F)cccc1
SPLASH splash10-0a4i-1900000000-b96de122f07ad6db2282
Wiley ID 1443052