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2-(3,4,5-Trimethoxyphenyl)-5-[(5-butylthio-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-butylthio-1,3,4-oxadiazol-2-yl)methylthio]-1,3,4-thiadiazole
SpectraBase Compound ID C5Gn4K4pMcr
InChI InChI=1S/C18H22N4O4S3/c1-5-6-7-27-17-21-19-14(26-17)10-28-18-22-20-16(29-18)11-8-12(23-2)15(25-4)13(9-11)24-3/h8-9H,5-7,10H2,1-4H3
InChIKey YBJLTRSCAYZDME-UHFFFAOYSA-N
Mol Weight 454.58 g/mol
Molecular Formula C18H22N4O4S3
Exact Mass 454.080319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oQAOW6FpQ
Name 2-(3,4,5-Trimethoxyphenyl)-5-[(5-butylthio-1,3,4-oxadiazol-2-yl)methylthio]-1,3,4-thiadiazole
Alternate Name(s) 2-(butylthio)-5-(((5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl)thio)methyl)-1,3,4-oxadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N4O4S3
InChI InChI=1S/C18H22N4O4S3/c1-5-6-7-27-17-21-19-14(26-17)10-28-18-22-20-16(29-18)11-8-12(23-2)15(25-4)13(9-11)24-3/h8-9H,5-7,10H2,1-4H3
InChIKey YBJLTRSCAYZDME-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200890241
Molecular Weight 454.578 g/mol
SMILES c1(sc(nn1)SCc1oc(nn1)SCCCC)-c1cc(c(c(c1)OC)OC)OC
SPLASH splash10-0wml-0945500000-5685b0b0d9111f538295
Source of Spectrum CJC-26-1330-6b
Wiley ID 1774519