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2-(3,4,5-Trimethoxyphenyl)-5-{[5-(4-chlorobenzylthio)-1,3,4-oxadiazol-2-yl]methylthio}-1,3,4-thiadiazole
SpectraBase Compound ID JiD82hACWXp
InChI InChI=1S/C21H19ClN4O4S3/c1-27-15-8-13(9-16(28-2)18(15)29-3)19-24-26-21(33-19)32-11-17-23-25-20(30-17)31-10-12-4-6-14(22)7-5-12/h4-9H,10-11H2,1-3H3
InChIKey YXJBOOHXBWMLQI-UHFFFAOYSA-N
Mol Weight 523.04 g/mol
Molecular Formula C21H19ClN4O4S3
Exact Mass 522.025696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9QUPWkMykG
Name 2-(3,4,5-Trimethoxyphenyl)-5-{[5-(4-chlorobenzylthio)-1,3,4-oxadiazol-2-yl]methylthio}-1,3,4-thiadiazole
Alternate Name(s) 2-((4-chlorobenzyl)thio)-5-(((5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl)thio)methyl)-1,3,4-oxadiazole 2-[(4-chlorophenyl)methylthio]-5-[[[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,3,4-oxadiazole 2-[(4-chlorophenyl)methylsulfanyl]-5-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
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Formula C21H19ClN4O4S3
InChI InChI=1S/C21H19ClN4O4S3/c1-27-15-8-13(9-16(28-2)18(15)29-3)19-24-26-21(33-19)32-11-17-23-25-20(30-17)31-10-12-4-6-14(22)7-5-12/h4-9H,10-11H2,1-3H3
InChIKey YXJBOOHXBWMLQI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200890241
Molecular Weight 523.040 g/mol
SMILES c1(sc(nn1)SCc1oc(nn1)SCc1ccc(cc1)Cl)-c1cc(c(c(c1)OC)OC)OC
SPLASH splash10-02dr-8943010000-1c6f70d090804aaf231d
Source of Spectrum CJC-26-1330-6f
Wiley ID 1774523