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2-(3,4,5-Trimethoxyphenyl)-5-{[5-(2-chloro-5-pyridinemethylthio)-1,3,4-oxadiazol-2-yl]methylthio}-1,3,4-thiadiazole
SpectraBase Compound ID 2qg2eRx62SF
InChI InChI=1S/C20H18ClN5O4S3/c1-27-13-6-12(7-14(28-2)17(13)29-3)18-24-26-20(33-18)32-10-16-23-25-19(30-16)31-9-11-4-5-15(21)22-8-11/h4-8H,9-10H2,1-3H3
InChIKey XOMNEXDZWOWZOM-UHFFFAOYSA-N
Mol Weight 524.03 g/mol
Molecular Formula C20H18ClN5O4S3
Exact Mass 523.020945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kge3eeKEpBf
Name 2-(3,4,5-Trimethoxyphenyl)-5-{[5-(2-chloro-5-pyridinemethylthio)-1,3,4-oxadiazol-2-yl]methylthio}-1,3,4-thiadiazole
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Formula C20H18ClN5O4S3
InChI InChI=1S/C20H18ClN5O4S3/c1-27-13-6-12(7-14(28-2)17(13)29-3)18-24-26-20(33-18)32-10-16-23-25-19(30-16)31-9-11-4-5-15(21)22-8-11/h4-8H,9-10H2,1-3H3
InChIKey XOMNEXDZWOWZOM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200890241
Molecular Weight 524.028 g/mol
SMILES c1(sc(nn1)SCc1oc(nn1)SCc1cnc(cc1)Cl)-c1cc(c(c(c1)OC)OC)OC
SPLASH splash10-042c-2963010000-ee211431dcd6039f0d71
Source of Spectrum CJC-26-1331-6j
Synonyms 2-(((6-chloropyridin-3-yl)methyl)thio)-5-(((5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl)thio)methyl)-1,3,4-oxadiazole
Wiley ID 1774527