4-Chlorophenyl 2-(4-chlorophenyl)-6-methyl[1,2,4]triazolo[5,1-b][1,3]thiazole-5-carboxylate

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Systematic / IUPAC Name: 4-Chlorophenyl 2-(4-chlorophenyl)-6-methyl[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate

ID: Reference5221

Other Names: Thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid, 2-(4-chlorophenyl)-6-methyl-, 4-chlorophenyl ester

Formula: C18H11Cl2N3O2S

Spectral Data

4-Chlorophenyl 2-(4-chlorophenyl)-6-methyl[1,2,4]triazolo[5,1-b][1,3]thiazole-5-carboxylate 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/21/2016 12:10:39 PM
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Identificators

InChI InChI=1S/C18H11Cl2N3O2S/c1-10-15(17(24)25-14-8-6-13(20)7-9-14)26-18-21-16(22-23(10)18)11-2-4-12(19)5-3-11/h2-9H,1H3
InChI Key LNFAQFXDSCJBCE-UHFFFAOYSA-N
Canonical SMILES CC1=C(SC2=NC(=NN12)C3=CC=C(C=C3)Cl)C(=O)OC4=CC=C(C=C4)Cl
CAS
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Other Names Thiazolo[3,2-b][1,2,4]triazole-5-carboxylic acid, 2-(4-chlorophenyl)-6-methyl-, 4-chlorophenyl ester

In Other Databases

PubChem 2745864
ChemSpider 2027344