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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[5-(3-chloro-4-fluorophenyl)-2-furanyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[5-(3-chloro-4-fluorophenyl)-2-furanyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID 9GEvrYh2mIU
InChI InChI=1S/C19H14ClFN4O2S/c1-9(2)18-24-25-16(22)12(17(26)23-19(25)28-18)8-11-4-6-15(27-11)10-3-5-14(21)13(20)7-10/h3-9,22H,1-2H3/b12-8-,22-16?
InChIKey JKCPEQIRJUXCGR-YTDNRYEMSA-N
Mol Weight 416.86 g/mol
Molecular Formula C19H14ClFN4O2S
Exact Mass 416.051003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4FDq9spnAo
Name (6Z)-5-azanylidene-6-[[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Alternate Name(s) (6Z)-6-[[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methylene]-5-imino-2-isopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[5-(3-chloro-4-fluorophenyl)-2-furanyl]methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Formula C19H14ClFN4O2S
InChI InChI=1S/C19H14ClFN4O2S/c1-9(2)18-24-25-16(22)12(17(26)23-19(25)28-18)8-11-4-6-15(27-11)10-3-5-14(21)13(20)7-10/h3-9,22H,1-2H3/b12-8-,22-16?
InChIKey JKCPEQIRJUXCGR-YTDNRYEMSA-N
Molecular Weight 416.858 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(C(C)C)S2)=C\c1oc(-c2cc(Cl)c(cc2)F)cc1
SPLASH splash10-006x-9460100000-83bdd2d219b1ac65b9f5
Wiley ID 1464077