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2-Chloro-6-ethoxy-4-[3'-cyano-4'-(2"-thienyl)-2'-(ethylthioglycolate)-4'-(2"-thienyl)pyridin-6'-yl]-pyridine
SpectraBase Compound ID 7S95ceKEjdJ
InChI InChI=1S/C21H18ClN3O3S2/c1-3-27-19-9-13(8-18(22)25-19)16-10-14(17-6-5-7-29-17)15(11-23)21(24-16)30-12-20(26)28-4-2/h5-10H,3-4,12H2,1-2H3
InChIKey BYXJBRZSXIHCLQ-UHFFFAOYSA-N
Mol Weight 459.97 g/mol
Molecular Formula C21H18ClN3O3S2
Exact Mass 459.047811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B38lX1ojZvg
Name 2-Chloro-6-ethoxy-4-[3'-cyano-4'-(2"-thienyl)-2'-(ethylthioglycolate)-4'-(2"-thienyl)pyridin-6'-yl]-pyridine
Comments Less than 3 mono-isotopic peaks
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Formula C21H18ClN3O3S2
InChI InChI=1S/C21H18ClN3O3S2/c1-3-27-19-9-13(8-18(22)25-19)16-10-14(17-6-5-7-29-17)15(11-23)21(24-16)30-12-20(26)28-4-2/h5-10H,3-4,12H2,1-2H3
InChIKey BYXJBRZSXIHCLQ-UHFFFAOYSA-N
Molecular Weight 459.966 g/mol
SMILES c1(c(nc(cc1-c1sccc1)-c1cc(Cl)nc(c1)OCC)SCC(=O)OCC)C#N
SPLASH splash10-03di-0000900000-9b3cb54e7af6f67165b8
Source of Spectrum AH-138-705-6
Synonyms 2-[[6-(2-chloro-6-ethoxy-4-pyridinyl)-3-cyano-4-thiophen-2-yl-2-pyridinyl]thio]acetic acid ethyl ester ethyl 2-[6-(2-chloro-6-ethoxypyridin-4-yl)-3-cyano-4-thiophen-2-ylpyridin-2-yl]sulfanylacetate ethyl 2-[[6-(2-chloro-6-ethoxy-4-pyridyl)-3-cyano-4-(2-thienyl)-2-pyridyl]sulfanyl]acetate ethyl 2-[6-(2-chloranyl-6-ethoxy-pyridin-4-yl)-3-cyano-4-thiophen-2-yl-pyridin-2-yl]sulfanylethanoate
Wiley ID 1612367