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2-(1,3-Benzothiazol-2-yl)-4-({[2-(4-morpholinyl)ethyl]amino}methylene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 4JLrNWNl1O0
InChI InChI=1S/C18H18F3N5O2S/c19-18(20,21)15-12(11-22-5-6-25-7-9-28-10-8-25)16(27)26(24-15)17-23-13-3-1-2-4-14(13)29-17/h1-4,11,22H,5-10H2/b12-11-
InChIKey VPYXGWPEJSDSCV-QXMHVHEDSA-N
Mol Weight 425.43 g/mol
Molecular Formula C18H18F3N5O2S
Exact Mass 425.113331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhL6lmamvB8
Name 2-(1,3-Benzothiazol-2-yl)-4-({[2-(4-morpholinyl)ethyl]amino}methylene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Alternate Name(s) (4Z)-2-(1,3-benzothiazol-2-yl)-4-({[2-(4-morpholinyl)ethyl]amino}methylene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one 2-Benzothiazol-2-yl-4-[(2-morpholin-4-yl-ethylamino)-methylene]-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one (4Z)-2-(1,3-benzothiazol-2-yl)-4-[[2-(4-morpholinyl)ethylamino]methylidene]-5-(trifluoromethyl)-3-pyrazolone (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholinoethylamino)methylene]-5-(trifluoromethyl)pyrazol-3-one (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
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Formula C18H18F3N5O2S
InChI InChI=1S/C18H18F3N5O2S/c19-18(20,21)15-12(11-22-5-6-25-7-9-28-10-8-25)16(27)26(24-15)17-23-13-3-1-2-4-14(13)29-17/h1-4,11,22H,5-10H2/b12-11-
InChIKey VPYXGWPEJSDSCV-QXMHVHEDSA-N
Molecular Weight 425.430 g/mol
SMILES N(\C=C/1C(N(N=C1C(F)(F)F)c1sc2ccccc2n1)=O)CCN1CCOCC1
SPLASH splash10-0udi-7900000000-9d45bd5e5d9fef1d4c65
Wiley ID 1454108