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(6E)-5-azanylidene-6-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

View entire compound with spectra: 1 MS (GC)

(6E)-5-azanylidene-6-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID Hfmb1ldEvVh
InChI InChI=1S/C21H14ClF3N4O3S/c1-31-15-9-12(8-14(22)16(15)32-10-11-5-3-2-4-6-11)7-13-17(26)29-20(27-18(13)30)33-19(28-29)21(23,24)25/h2-9,26H,10H2,1H3/b13-7+,26-17?
InChIKey YZYXXQUJKOZKHB-HEOCGEATSA-N
Mol Weight 494.88 g/mol
Molecular Formula C21H14ClF3N4O3S
Exact Mass 494.042724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yl0h3xPQ8O
Name (6E)-5-azanylidene-6-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14ClF3N4O3S
InChI InChI=1S/C21H14ClF3N4O3S/c1-31-15-9-12(8-14(22)16(15)32-10-11-5-3-2-4-6-11)7-13-17(26)29-20(27-18(13)30)33-19(28-29)21(23,24)25/h2-9,26H,10H2,1H3/b13-7+,26-17?
InChIKey YZYXXQUJKOZKHB-HEOCGEATSA-N
Molecular Weight 494.876 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(C(F)(F)F)S2)=C/c1cc(Cl)c(c(c1)OC)OCc1ccccc1
SPLASH splash10-0006-9400000000-3f84113c9f047a387165
Synonyms (6E)-6-(4-benzoxy-3-chloro-5-methoxy-benzylidene)-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-6-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-6-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methylene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Wiley ID 1442257