4-(4-Chloro-2,5-dimethoxyphenyl)-5-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-4H-1,2,4-triazole-3-thiol

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Systematic / IUPAC Name: 4-(4-Chloro-2,5-dimethoxyphenyl)-5-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione

ID: Reference5013

Other Names: 3H-1,2,4-Triazole-3-thione, 4-(4-chloro-2,5-dimethoxyphenyl)-5-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2,4-dihydro-

Formula: C20H17Cl2N5O3S

Spectral Data

4-(4-Chloro-2,5-dimethoxyphenyl)-5-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-4H-1,2,4-triazole-3-thiol 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 2
No. of Spectra 236
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/20/2016 10:27:19 AM
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Identificators

InChI InChI=1S/C20H17Cl2N5O3S/c1-28-15-10-14(16(29-2)9-13(15)22)27-17(24-25-20(27)31)7-8-18-23-19(26-30-18)11-3-5-12(21)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,25,31)
InChI Key CQNKSAXDSRQCOK-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=C(C=C1N2C(=NNC2=S)CCC3=NC(=NO3)C4=CC=C(C=C4)Cl)OC)Cl
CAS
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Other Names 3H-1,2,4-Triazole-3-thione, 4-(4-chloro-2,5-dimethoxyphenyl)-5-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2,4-dihydro-

In Other Databases

ChemSpider 2076078
PubChem 2797269