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(4E)-2-(1,3-benzothiazol-2-yl)-4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one
SpectraBase Compound ID EXFrDaiyWAE
InChI InChI=1S/C23H18F3N5OS/c1-13-14(15-6-2-3-7-17(15)28-13)10-11-27-12-16-20(23(24,25)26)30-31(21(16)32)22-29-18-8-4-5-9-19(18)33-22/h2-9,12,27-28H,10-11H2,1H3/b16-12+
InChIKey GPYBCHQVUFQVBM-FOWTUZBSSA-N
Mol Weight 469.49 g/mol
Molecular Formula C23H18F3N5OS
Exact Mass 469.118416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TPzDINBAET
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18F3N5OS
InChI InChI=1S/C23H18F3N5OS/c1-13-14(15-6-2-3-7-17(15)28-13)10-11-27-12-16-20(23(24,25)26)30-31(21(16)32)22-29-18-8-4-5-9-19(18)33-22/h2-9,12,27-28H,10-11H2,1H3/b16-12+
InChIKey GPYBCHQVUFQVBM-FOWTUZBSSA-N
Molecular Weight 469.486 g/mol
SMILES N(\C=C\1C(N(c2nc3ccccc3s2)N=C1C(F)(F)F)=O)CCc1c([nH]c2c1cccc2)C
SPLASH splash10-0006-3912000000-5618c2f357d70017e60d
Synonyms (4E)-2-(1,3-benzothiazol-2-yl)-4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methylene]-5-(trifluoromethyl)pyrazol-3-one (4E)-2-(1,3-benzothiazol-2-yl)-4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]-5-(trifluoromethyl)-3-pyrazolone (4E)-2-(1,3-benzothiazol-2-yl)-4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]-5-(trifluoromethyl)pyrazol-3-one
Wiley ID 1444822