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2-(3,4,5-Trimethoxyphenyl)-5-{[5-(2-ethoxycarbonylmethylthio)-1,3,4-oxadiazol-2-yl]methylthio}-1,3,4-thiadiazole
SpectraBase Compound ID Ip9f9QUBsfP
InChI InChI=1S/C18H20N4O6S3/c1-5-27-14(23)9-29-17-21-19-13(28-17)8-30-18-22-20-16(31-18)10-6-11(24-2)15(26-4)12(7-10)25-3/h6-7H,5,8-9H2,1-4H3
InChIKey LWCZKJVNJKYWPK-UHFFFAOYSA-N
Mol Weight 484.56 g/mol
Molecular Formula C18H20N4O6S3
Exact Mass 484.054498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EVRvVHp3sy
Name 2-(3,4,5-Trimethoxyphenyl)-5-{[5-(2-ethoxycarbonylmethylthio)-1,3,4-oxadiazol-2-yl]methylthio}-1,3,4-thiadiazole
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Formula C18H20N4O6S3
InChI InChI=1S/C18H20N4O6S3/c1-5-27-14(23)9-29-17-21-19-13(28-17)8-30-18-22-20-16(31-18)10-6-11(24-2)15(26-4)12(7-10)25-3/h6-7H,5,8-9H2,1-4H3
InChIKey LWCZKJVNJKYWPK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200890241
Molecular Weight 484.560 g/mol
SMILES c1(sc(nn1)-c1cc(c(c(c1)OC)OC)OC)SCc1oc(nn1)SCC(OCC)=O
SPLASH splash10-02t9-0679200000-3eab6cc2397addc10d42
Source of Spectrum CJC-26-1330-6a
Synonyms Ethyl 2-((5-(((5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl)thio)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate
Wiley ID 1774518