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(4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2-thenylamino)methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one
SpectraBase Compound ID 3HXOKEIOgfv
InChI InChI=1S/C17H11F3N4OS2/c18-17(19,20)14-11(9-21-8-10-4-3-7-26-10)15(25)24(23-14)16-22-12-5-1-2-6-13(12)27-16/h1-7,9,21H,8H2/b11-9-
InChIKey OFXMXAPLMYBVNU-LUAWRHEFSA-N
Mol Weight 408.42 g/mol
Molecular Formula C17H11F3N4OS2
Exact Mass 408.032638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4o2DJr4ACIy
Name (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2-thenylamino)methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one
CAS Registry Number 328280-06-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11F3N4OS2
InChI InChI=1S/C17H11F3N4OS2/c18-17(19,20)14-11(9-21-8-10-4-3-7-26-10)15(25)24(23-14)16-22-12-5-1-2-6-13(12)27-16/h1-7,9,21H,8H2/b11-9-
InChIKey OFXMXAPLMYBVNU-LUAWRHEFSA-N
Molecular Weight 408.417 g/mol
SMILES N(\C=C\1C(=NN(C1=O)c1nc2ccccc2s1)C(F)(F)F)Cc1sccc1
SPLASH splash10-0002-9200100000-6df7c93daebf612bbeef
Source of Spectrum AD-0-2532-0
Synonyms (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2-thienylmethylamino)methylene]-5-(trifluoromethyl)pyrazol-3-one (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(thiophen-2-ylmethylamino)methylidene]-5-(trifluoromethyl)-3-pyrazolone (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(thiophen-2-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
Wiley ID 1419917