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2-(3,4,5-Trimethoxyphenyl)-5-{[5-(4-nitrobenzylthio)-1,3,4-oxadiazol-2-yl]methylthio}-1,3,4-thiadiazole

View entire compound with spectra: 1 MS (GC)

2-(3,4,5-Trimethoxyphenyl)-5-{[5-(4-nitrobenzylthio)-1,3,4-oxadiazol-2-yl]methylthio}-1,3,4-thiadiazole
SpectraBase Compound ID 5I4auQkf0G3
InChI InChI=1S/C21H19N5O6S3/c1-29-15-8-13(9-16(30-2)18(15)31-3)19-23-25-21(35-19)34-11-17-22-24-20(32-17)33-10-12-4-6-14(7-5-12)26(27)28/h4-9H,10-11H2,1-3H3
InChIKey XSIWBSBDKYWWOR-UHFFFAOYSA-N
Mol Weight 533.59 g/mol
Molecular Formula C21H19N5O6S3
Exact Mass 533.049747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ckH4EXGUSy
Name 2-(3,4,5-Trimethoxyphenyl)-5-{[5-(4-nitrobenzylthio)-1,3,4-oxadiazol-2-yl]methylthio}-1,3,4-thiadiazole
Alternate Name(s) 2-((4-nitrobenzyl)thio)-5-(((5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl)thio)methyl)-1,3,4-oxadiazole
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Formula C21H19N5O6S3
InChI InChI=1S/C21H19N5O6S3/c1-29-15-8-13(9-16(30-2)18(15)31-3)19-23-25-21(35-19)34-11-17-22-24-20(32-17)33-10-12-4-6-14(7-5-12)26(27)28/h4-9H,10-11H2,1-3H3
InChIKey XSIWBSBDKYWWOR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200890241
Molecular Weight 533.592 g/mol
SMILES c1(sc(nn1)SCc1oc(nn1)SCc1ccc(cc1)[N+](=O)[O-])-c1cc(c(c(c1)OC)OC)OC
SPLASH splash10-0933-3893020000-0bcb0e26ed13ef490bcc
Source of Spectrum CJC-26-1330-6c
Wiley ID 1774520