1-{3-[({3-[(5-Acetyl-2-methoxybenzyl)thio]-1,2,4-thiadiazol-5-yl}thio)methyl]-4-methoxyphenyl}ethan-1-one

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Systematic / IUPAC Name: 1,1'-{1,2,4-Thiadiazole-3,5-diylbis[sulfanediylmethylene(4-methoxy-3,1-phenylene)]}diethanone

ID: Reference4621

Other Names: Ethanone, 1,1'-{1,2,4-thiadiazole-3,5-diylbis[thiomethylene(4-methoxy-3,1-phenylene)]}bis-

Formula: C22H22N2O4S3

Spectral Data

1-{3-[({3-[(5-Acetyl-2-methoxybenzyl)thio]-1,2,4-thiadiazol-5-yl}thio)methyl]-4-methoxyphenyl}ethan-1-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/25/2016 9:07:46 AM
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Identificators

InChI InChI=1S/C22H22N2O4S3/c1-13(25)15-5-7-19(27-3)17(9-15)11-29-21-23-22(31-24-21)30-12-18-10-16(14(2)26)6-8-20(18)28-4/h5-10H,11-12H2,1-4H3
InChI Key HWDYVBDILRNQDK-UHFFFAOYSA-N
Canonical SMILES CC(=O)C1=CC(=C(C=C1)OC)CSC2=NSC(=N2)SCC3=C(C=CC(=C3)C(=O)C)OC
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Other Names Ethanone, 1,1'-{1,2,4-thiadiazole-3,5-diylbis[thiomethylene(4-methoxy-3,1-phenylene)]}bis-

In Other Databases

PubChem 2805096
ChemSpider 2083628