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(9E)-3-(4-bromophenyl)-9-(4-fluorobenzylidene)-5-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
SpectraBase Compound ID J0NKdZngaL
InChI InChI=1S/C29H21BrF2N2S/c30-22-10-6-19(7-11-22)26-17-35-29-33-27-21(16-18-4-12-23(31)13-5-18)2-1-3-25(27)28(34(26)29)20-8-14-24(32)15-9-20/h4-17,28H,1-3H2/b21-16+
InChIKey AFLSBKNEEABTPO-LTGZKZEYSA-N
Mol Weight 547.46 g/mol
Molecular Formula C29H21BrF2N2S
Exact Mass 546.057689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82hR0TXrR4o
Name (9E)-3-(4-bromophenyl)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylene]-5,6,7,8-tetrahydrothiazolo[2,3-b]quinazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H21BrF2N2S
InChI InChI=1S/C29H21BrF2N2S/c30-22-10-6-19(7-11-22)26-17-35-29-33-27-21(16-18-4-12-23(31)13-5-18)2-1-3-25(27)28(34(26)29)20-8-14-24(32)15-9-20/h4-17,28H,1-3H2/b21-16+
InChIKey AFLSBKNEEABTPO-LTGZKZEYSA-N
Molecular Weight 547.462 g/mol
SMILES c1(ccc(\C=C\2C3=C(C(N4C(=CSC4=N3)c3ccc(cc3)Br)c3ccc(cc3)F)CCC2)cc1)F
SPLASH splash10-0udi-1952820000-ce6c0b4f020004d654a4
Synonyms (9E)-3-(4-bromophenyl)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline (9E)-3-(4-bromophenyl)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydrothiazolo[2,3-b]quinazoline (9E)-3-(4-bromophenyl)-9-(4-fluorobenzylidene)-5-(4-fluorophenyl)-5,6,7,8-tetrahydrothiazolo[2,3-b]quinazoline (9E)-3-(4-bromophenyl)-9-(4-fluorobenzylidene)-5-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Wiley ID 1444374