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(Z)-2-(4-Bromobenzylidene)-5,9-dimethyl-7-phenyl-5,6-dihydropyrazolo[3,4-f]thiazolo[2,3-b][1,3,5]triazepin-3-one
SpectraBase Compound ID ERFJYZ1maVV
InChI InChI=1S/C22H18BrN5OS/c1-13-19-20(28(26-13)17-6-4-3-5-7-17)24-14(2)27-21(29)18(30-22(27)25-19)12-15-8-10-16(23)11-9-15/h3-12,14,24H,1-2H3/b18-12-
InChIKey KKCILFBBLBMBGY-PDGQHHTCSA-N
Mol Weight 480.38 g/mol
Molecular Formula C22H18BrN5OS
Exact Mass 479.041544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2kAXIOADcm
Name (Z)-2-(4-Bromobenzylidene)-5,9-dimethyl-7-phenyl-5,6-dihydropyrazolo[3,4-f]thiazolo[2,3-b][1,3,5]triazepin-3-one
Alternate Name(s) 6-[1-(4-Bromo-phenyl)-meth-(Z)-ylidene]-3,8-dimethyl-1-phenyl-8,9-dihydro-1H-5-thia-1,2,4,7a,9-pentaaza-cyclopenta[f]azulen-7-one
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Formula C22H18BrN5OS
InChI InChI=1S/C22H18BrN5OS/c1-13-19-20(28(26-13)17-6-4-3-5-7-17)24-14(2)27-21(29)18(30-22(27)25-19)12-15-8-10-16(23)11-9-15/h3-12,14,24H,1-2H3/b18-12-
InChIKey KKCILFBBLBMBGY-PDGQHHTCSA-N
Molecular Weight 480.384 g/mol
SMILES N1C(N2C(\C(SC2=Nc2c1[n](nc2C)-c1ccccc1)=C\c1ccc(cc1)Br)=O)C
SPLASH splash10-0059-2110900000-c0200d5eab4dea9b03f5
Source of Spectrum Y-46-760-6b
Wiley ID 1666775