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O-(2-Chloro-4-fluorophenyl),O-ethyl,O-(E)-1-{1-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethylidene amino thiophosphate

View entire compound with spectra: 1 MS (GC)

O-(2-Chloro-4-fluorophenyl),O-ethyl,O-(E)-1-{1-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethylidene amino thiophosphate
SpectraBase Compound ID 4K5sNE17amD
InChI InChI=1S/C17H17Cl2FN5O3PS2/c1-4-26-29(30,27-15-6-5-12(20)7-14(15)18)28-23-10(2)16-11(3)25(24-22-16)9-13-8-21-17(19)31-13/h5-8H,4,9H2,1-3H3/b23-10+
InChIKey UAHTWSYSQXMUHZ-AUEPDCJTSA-N
Mol Weight 524.35 g/mol
Molecular Formula C17H17Cl2FN5O3PS2
Exact Mass 522.987152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYUs32VruRK
Name O-(2-Chloro-4-fluorophenyl),O-ethyl,O-(E)-1-{1-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethylidene amino thiophosphate
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Formula C17H17Cl2FN5O3PS2
InChI InChI=1S/C17H17Cl2FN5O3PS2/c1-4-26-29(30,27-15-6-5-12(20)7-14(15)18)28-23-10(2)16-11(3)25(24-22-16)9-13-8-21-17(19)31-13/h5-8H,4,9H2,1-3H3/b23-10+
InChIKey UAHTWSYSQXMUHZ-AUEPDCJTSA-N
Literature Reference DOI 10.1002/cjoc.200990092
Molecular Weight 524.353 g/mol
SMILES c1nc(sc1C[n]1nnc(\C(=N\OP(OCC)(=S)Oc2ccc(cc2Cl)F)C)c1C)Cl
SPLASH splash10-0frt-0950000000-54207fc2f569488cef8b
Source of Spectrum CJC-27-567-4g
Synonyms (E)-O-(2-chloro-4-fluorophenyl) O-ethyl ((1-(1-((2-chlorothiazol-5-yl)methyl)-5-methyl-1H-1,2,3-triazol-4-yl)ethylidene)amino)oxyphosphonothioate
Wiley ID 1772292