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(Z)-9-Methyl-2-(4-nitrobenzylidene)-7-phenyl-5,6-dihydropyrazolo[3,4-f]thiazolo[2,3-b][1,3,5]triazepin-3-one
SpectraBase Compound ID KS2CRXxa4h4
InChI InChI=1S/C21H16N6O3S/c1-13-18-19(26(24-13)15-5-3-2-4-6-15)22-12-25-20(28)17(31-21(25)23-18)11-14-7-9-16(10-8-14)27(29)30/h2-11,22H,12H2,1H3/b17-11-
InChIKey ZKGLSRZFXCCHAY-BOPFTXTBSA-N
Mol Weight 432.46 g/mol
Molecular Formula C21H16N6O3S
Exact Mass 432.10046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yrAFGtlyNT
Name (Z)-9-Methyl-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 C21H16N6O3S
InChI InChI=1S/C21H16N6O3S/c1-13-18-19(26(24-13)15-5-3-2-4-6-15)22-12-25-20(28)17(31-21(25)23-18)11-14-7-9-16(10-8-14)27(29)30/h2-11,22H,12H2,1H3/b17-11-
InChIKey ZKGLSRZFXCCHAY-BOPFTXTBSA-N
Molecular Weight 432.458 g/mol
SMILES N1CN2C(\C(SC2=Nc2c1[n](nc2C)-c1ccccc1)=C\c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-001i-0110900000-1da40c3883fb263cc120
Source of Spectrum Y-46-759-5a
Synonyms 3-Methyl-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 1711113