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O-Ethyl,O-(2-methoxyphenyl),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-methoxyphenyl),O-(E)-1-{1-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethylidene amino thiophosphate
SpectraBase Compound ID DEAs53MckYx
InChI InChI=1S/C18H21ClN5O4PS2/c1-5-26-29(30,27-16-9-7-6-8-15(16)25-4)28-22-12(2)17-13(3)24(23-21-17)11-14-10-20-18(19)31-14/h6-10H,5,11H2,1-4H3/b22-12+
InChIKey RFTYDJLJEDWKIC-WSDLNYQXSA-N
Mol Weight 501.94 g/mol
Molecular Formula C18H21ClN5O4PS2
Exact Mass 501.046111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITY8AYoIrfj
Name O-Ethyl,O-(2-methoxyphenyl),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 C18H21ClN5O4PS2
InChI InChI=1S/C18H21ClN5O4PS2/c1-5-26-29(30,27-16-9-7-6-8-15(16)25-4)28-22-12(2)17-13(3)24(23-21-17)11-14-10-20-18(19)31-14/h6-10H,5,11H2,1-4H3/b22-12+
InChIKey RFTYDJLJEDWKIC-WSDLNYQXSA-N
Literature Reference DOI 10.1002/cjoc.200990092
Molecular Weight 501.944 g/mol
SMILES c1nc(sc1C[n]1nnc(\C(=N\OP(OCC)(=S)Oc2ccccc2OC)C)c1C)Cl
SPLASH splash10-0kh9-0930000000-c3c32acbf48f84dae933
Source of Spectrum CJC-27-567-4d
Synonyms (E)-O-ethyl O-(2-methoxyphenyl) ((1-(1-((2-chlorothiazol-5-yl)methyl)-5-methyl-1H-1,2,3-triazol-4-yl)ethylidene)amino)oxyphosphonothioate
Wiley ID 1772290