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O-Ethyl,O-(2-tolyl),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-Ethyl,O-(2-tolyl),O-(E)-1-{1-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl} ethylidene amino thiophosphate
SpectraBase Compound ID 40z4zojx617
InChI InChI=1S/C18H21ClN5O3PS2/c1-5-25-28(29,26-16-9-7-6-8-12(16)2)27-22-13(3)17-14(4)24(23-21-17)11-15-10-20-18(19)30-15/h6-10H,5,11H2,1-4H3/b22-13+
InChIKey WVPJOIRDXLLPMN-LPYMAVHISA-N
Mol Weight 485.94 g/mol
Molecular Formula C18H21ClN5O3PS2
Exact Mass 485.051197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hK6uVjCDqc
Name O-Ethyl,O-(2-tolyl),O-(E)-1-{1-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl} ethylidene amino thiophosphate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21ClN5O3PS2
InChI InChI=1S/C18H21ClN5O3PS2/c1-5-25-28(29,26-16-9-7-6-8-12(16)2)27-22-13(3)17-14(4)24(23-21-17)11-15-10-20-18(19)30-15/h6-10H,5,11H2,1-4H3/b22-13+
InChIKey WVPJOIRDXLLPMN-LPYMAVHISA-N
Literature Reference DOI 10.1002/cjoc.200990092
Molecular Weight 485.945 g/mol
SMILES c1nc(sc1C[n]1c(C)c(\C(=N\OP(OCC)(=S)Oc2ccccc2C)C)nn1)Cl
SPLASH splash10-0059-9510000000-b780ea9d0ca1fc1aec4b
Source of Spectrum CJC-27-567-4b
Synonyms (E)-O-ethyl O-o-tolyl ((1-(1-((2-chlorothiazol-5-yl)methyl)-5-methyl-1H-1,2,3-triazol-4-yl)ethylidene)amino)oxyphosphonothioate
Wiley ID 1772288