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(Z)-5,9-Dimethyl-2-(4-nitrobenzylidene)-7-phenyl-5,6-dihydropyrazolo[3,4-f]thiazolo[2,3-b][1,3,5]triazepin-3-one
SpectraBase Compound ID Ec0gAUwJheF
InChI InChI=1S/C22H18N6O3S/c1-13-19-20(27(25-13)16-6-4-3-5-7-16)23-14(2)26-21(29)18(32-22(26)24-19)12-15-8-10-17(11-9-15)28(30)31/h3-12,14,23H,1-2H3/b18-12-
InChIKey OFWDBJGRXWSONS-PDGQHHTCSA-N
Mol Weight 446.49 g/mol
Molecular Formula C22H18N6O3S
Exact Mass 446.11611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vsHnai4zp5
Name (Z)-5,9-Dimethyl-2-(4-nitrobenzylidene)-7-phenyl-5,6-dihydropyrazolo[3,4-f]thiazolo[2,3-b][1,3,5]triazepin-3-one
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Formula C22H18N6O3S
InChI InChI=1S/C22H18N6O3S/c1-13-19-20(27(25-13)16-6-4-3-5-7-16)23-14(2)26-21(29)18(32-22(26)24-19)12-15-8-10-17(11-9-15)28(30)31/h3-12,14,23H,1-2H3/b18-12-
InChIKey OFWDBJGRXWSONS-PDGQHHTCSA-N
Molecular Weight 446.485 g/mol
SMILES N1C(N2C(\C(SC2=Nc2c1[n](nc2C)-c1ccccc1)=C\c1ccc(N(=O)=O)cc1)=O)C
SPLASH splash10-0002-0010900000-36e1bcbb5994c41f6dfd
Source of Spectrum Y-46-759-6a
Synonyms 3,8-Dimethyl-6-[1-(4-nitro-phenyl)-meth-(Z)-ylidene]-1-phenyl-8,9-dihydro-1H-5-thia-1,2,4,7a,9-pentaaza-cyclopenta[f]azulen-7-one
Wiley ID 1666776