1-(2,4-Dichlorophenyl)-2-{[5-(2,2-diethoxyethyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}ethan-1-one

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Systematic / IUPAC Name: 1-(2,4-Dichlorophenyl)-2-{[5-(2,2-diethoxyethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

ID: Reference5223

Other Names: 1-(2,4-Dichlorophenyl)-2-{[5-(2,2-diethoxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl}ethanone ;
Ethanone, 1-(2,4-dichlorophenyl)-2-{[5-(2,2-diethoxyethyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-

Formula: C17H21Cl2N3O3S

Spectral Data

1-(2,4-Dichlorophenyl)-2-{[5-(2,2-diethoxyethyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}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 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/21/2016 12:12:32 PM
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Identificators

InChI InChI=1S/C17H21Cl2N3O3S/c1-4-24-16(25-5-2)9-15-20-21-17(22(15)3)26-10-14(23)12-7-6-11(18)8-13(12)19/h6-8,16H,4-5,9-10H2,1-3H3
InChI Key MYXWINJKXWADBY-UHFFFAOYSA-N
Canonical SMILES CCOC(CC1=NN=C(N1C)SCC(=O)C2=C(C=C(C=C2)Cl)Cl)OCC
CAS
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Other Names 1-(2,4-Dichlorophenyl)-2-{[5-(2,2-diethoxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl}ethanone ;
Ethanone, 1-(2,4-dichlorophenyl)-2-{[5-(2,2-diethoxyethyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-

In Other Databases

ChemSpider 2027213
PubChem 2745733