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(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopropylamino)ethylidene]-5-(trifluoromethyl)-2-pyrazolin-3-one
SpectraBase Compound ID 3y0PA4jRI7l
InChI InChI=1S/C16H13F3N4OS/c1-8(20-9-6-7-9)12-13(16(17,18)19)22-23(14(12)24)15-21-10-4-2-3-5-11(10)25-15/h2-5,9,20H,6-7H2,1H3/b12-8-
InChIKey SHFNRKJVJYSXCD-WQLSENKSSA-N
Mol Weight 366.36 g/mol
Molecular Formula C16H13F3N4OS
Exact Mass 366.076217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2LYJsscu3s
Name (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopropylamino)ethylidene]-5-(trifluoromethyl)-2-pyrazolin-3-one
Alternate Name(s) (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopropylamino)ethylidene]-5-(trifluoromethyl)-3-pyrazolone (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopropylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13F3N4OS
InChI InChI=1S/C16H13F3N4OS/c1-8(20-9-6-7-9)12-13(16(17,18)19)22-23(14(12)24)15-21-10-4-2-3-5-11(10)25-15/h2-5,9,20H,6-7H2,1H3/b12-8-
InChIKey SHFNRKJVJYSXCD-WQLSENKSSA-N
Molecular Weight 366.362 g/mol
SMILES N(\C(=C\1C(=NN(C1=O)c1sc2ccccc2n1)C(F)(F)F)C)C1CC1
SPLASH splash10-00ko-9521000000-d44bc1cdfef28df3c31d
Wiley ID 1453360