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(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-morpholin-4-ylpropylidene)-5-(trifluoromethyl)pyrazol-3-one
SpectraBase Compound ID JWDsJmxiZip
InChI InChI=1S/C18H17F3N4O2S/c1-2-12(24-7-9-27-10-8-24)14-15(18(19,20)21)23-25(16(14)26)17-22-11-5-3-4-6-13(11)28-17/h3-6H,2,7-10H2,1H3/b14-12-
InChIKey WSOBZMIJPUBMNX-OWBHPGMISA-N
Mol Weight 410.42 g/mol
Molecular Formula C18H17F3N4O2S
Exact Mass 410.102431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OSQK37jM
Name (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-morpholin-4-ylpropylidene)-5-(trifluoromethyl)pyrazol-3-one
Alternate Name(s) (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-morpholinopropylidene)-5-(trifluoromethyl)-2-pyrazolin-3-one (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-morpholinopropylidene)-5-(trifluoromethyl)pyrazol-3-one (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-morpholinyl)propylidene]-5-(trifluoromethyl)-3-pyrazolone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17F3N4O2S
InChI InChI=1S/C18H17F3N4O2S/c1-2-12(24-7-9-27-10-8-24)14-15(18(19,20)21)23-25(16(14)26)17-22-11-5-3-4-6-13(11)28-17/h3-6H,2,7-10H2,1H3/b14-12-
InChIKey WSOBZMIJPUBMNX-OWBHPGMISA-N
Molecular Weight 410.415 g/mol
SMILES c1cc2sc(N3C(\C(=C\(N4CCOCC4)CC)C(=N3)C(F)(F)F)=O)nc2cc1
SPLASH splash10-03dl-9514500000-5bcf9efa5c65df8babbd
Wiley ID 1455168