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(Z)-2-(4-Bromobenzylidene)-9-methyl-7-phenyl-5,6-dihydropyrazolo[3,4-f]thiazolo[2,3-b][1,3,5]triazepin-3-one
SpectraBase Compound ID 4xg2D62HObe
InChI InChI=1S/C21H16BrN5OS/c1-13-18-19(27(25-13)16-5-3-2-4-6-16)23-12-26-20(28)17(29-21(26)24-18)11-14-7-9-15(22)10-8-14/h2-11,23H,12H2,1H3/b17-11-
InChIKey DAJWGLCKNIRCBA-BOPFTXTBSA-N
Mol Weight 466.36 g/mol
Molecular Formula C21H16BrN5OS
Exact Mass 465.025894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gvyNdG9zb0
Name (Z)-2-(4-Bromobenzylidene)-9-methyl-7-phenyl-5,6-dihydropyrazolo[3,4-f]thiazolo[2,3-b][1,3,5]triazepin-3-one
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Formula C21H16BrN5OS
InChI InChI=1S/C21H16BrN5OS/c1-13-18-19(27(25-13)16-5-3-2-4-6-16)23-12-26-20(28)17(29-21(26)24-18)11-14-7-9-15(22)10-8-14/h2-11,23H,12H2,1H3/b17-11-
InChIKey DAJWGLCKNIRCBA-BOPFTXTBSA-N
Molecular Weight 466.357 g/mol
SMILES N1CN2C(\C(SC2=Nc2c1[n](nc2C)-c1ccccc1)=C\c1ccc(cc1)Br)=O
SPLASH splash10-016r-4040900000-7473be4e6a9d4f7a5781
Source of Spectrum Y-46-759-5b
Synonyms 6-[1-(4-Bromo-phenyl)-meth-(Z)-ylidene]-3-methyl-1-phenyl-8,9-dihydro-1H-5-thia-1,2,4,7a,9-pentaaza-cyclopenta[f]azulen-7-one
Wiley ID 1666781