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(Z)-9-Methyl-7-phenyl-2-(4-trifluoromethylbenzylidene)-5,6-dihydropyrazolo[3,4-f]thiazolo[2,3-b][1,3,5]triazepin-3-one
SpectraBase Compound ID H4aVW6Vo3Q2
InChI InChI=1S/C22H16F3N5OS/c1-13-18-19(30(28-13)16-5-3-2-4-6-16)26-12-29-20(31)17(32-21(29)27-18)11-14-7-9-15(10-8-14)22(23,24)25/h2-11,26H,12H2,1H3/b17-11-
InChIKey VGIFAXQLXQFTEY-BOPFTXTBSA-N
Mol Weight 455.46 g/mol
Molecular Formula C22H16F3N5OS
Exact Mass 455.102766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClI8WErJ95p
Name (Z)-9-Methyl-7-phenyl-2-(4-trifluoromethylbenzylidene)-5,6-dihydropyrazolo[3,4-f]thiazolo[2,3-b][1,3,5]triazepin-3-one
Alternate Name(s) 3-Methyl-1-phenyl-6-[1-(4-trifluoromethyl-phenyl)-meth-(Z)-ylidene]-8,9-dihydro-1H-5-thia-1,2,4,7a,9-pentaaza-cyclopenta[f]azulen-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16F3N5OS
InChI InChI=1S/C22H16F3N5OS/c1-13-18-19(30(28-13)16-5-3-2-4-6-16)26-12-29-20(31)17(32-21(29)27-18)11-14-7-9-15(10-8-14)22(23,24)25/h2-11,26H,12H2,1H3/b17-11-
InChIKey VGIFAXQLXQFTEY-BOPFTXTBSA-N
Molecular Weight 455.459 g/mol
SMILES N1CN2C(\C(SC2=Nc2c1[n](nc2C)-c1ccccc1)=C\c1ccc(C(F)(F)F)cc1)=O
SPLASH splash10-0a4i-2010900000-3e8067d06bfb09d185d8
Source of Spectrum Y-46-759-5f
Wiley ID 1666777