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(Z)-2-(4-Fluorobenzylidene)-9-methyl-7-phenyl-5,6-dihydropyrazolo[3,4-f]thiazolo[2,3-b][1,3,5]triazepin-3-one
SpectraBase Compound ID 6dzvOMDPB9j
InChI InChI=1S/C21H16FN5OS/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 KTFSIMXMRHDEHN-BOPFTXTBSA-N
Mol Weight 405.45 g/mol
Molecular Formula C21H16FN5OS
Exact Mass 405.105959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DznMdXeLb9M
Name (Z)-2-(4-Fluorobenzylidene)-9-methyl-7-phenyl-5,6-dihydropyrazolo[3,4-f]thiazolo[2,3-b][1,3,5]triazepin-3-one
Alternate Name(s) 6-[1-(4-Fluoro-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16FN5OS
InChI InChI=1S/C21H16FN5OS/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 KTFSIMXMRHDEHN-BOPFTXTBSA-N
Molecular Weight 405.451 g/mol
SMILES N1CN2C(\C(SC2=Nc2c1[n](nc2C)-c1ccccc1)=C\c1ccc(cc1)F)=O
SPLASH splash10-0pb9-0420900000-8b55987f59e08ca1a80b
Source of Spectrum Y-46-759-5d
Wiley ID 1666779