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(6E)-5-azanylidene-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 6GsjDBBngr3
InChI InChI=1S/C22H13F4N5OS/c23-16-7-3-1-5-12(16)10-30-11-13(14-6-2-4-8-17(14)30)9-15-18(27)31-21(28-19(15)32)33-20(29-31)22(24,25)26/h1-9,11,27H,10H2/b15-9+,27-18?
InChIKey JKLRNODSLITJHA-UDWXTBBOSA-N
Mol Weight 471.43 g/mol
Molecular Formula C22H13F4N5OS
Exact Mass 471.077694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2f0tD4Jr8Ie
Name (6E)-5-azanylidene-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Formula C22H13F4N5OS
InChI InChI=1S/C22H13F4N5OS/c23-16-7-3-1-5-12(16)10-30-11-13(14-6-2-4-8-17(14)30)9-15-18(27)31-21(28-19(15)32)33-20(29-31)22(24,25)26/h1-9,11,27H,10H2/b15-9+,27-18?
InChIKey JKLRNODSLITJHA-UDWXTBBOSA-N
Molecular Weight 471.434 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(C(F)(F)F)S2)=C/c1c[n](Cc2c(F)cccc2)c2c1cccc2
SPLASH splash10-0a4i-2901000000-f1fdf275739bc3cdad9e
Synonyms (6E)-6-[[1-(2-fluorobenzyl)indol-3-yl]methylene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-6-[[1-[(2-fluorophenyl)methyl]-3-indolyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Wiley ID 1442258