Ethyl 2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

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Systematic / IUPAC Name: Ethyl {[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

ID: Reference7015

Other Names: Acetic acid, 2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-, ethyl ester ;
Ethyl 2-[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetate ;
Ethyl 2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Formula: C12H14N4O2S

Spectral Data

Ethyl 2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate 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 11/21/2017 8:55:49 AM
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Identificators

InChI InChI=1S/C12H14N4O2S/c1-3-18-10(17)8-19-12-15-14-11(16(12)2)9-4-6-13-7-5-9/h4-7H,3,8H2,1-2H3
InChI Key ITQHAILWCKNMMU-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)CSC1=NN=C(N1C)C2=CC=NC=C2
CAS
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Other Names Acetic acid, 2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-, ethyl ester ;
Ethyl 2-[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetate ;
Ethyl 2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

In Other Databases

PubChem 2815943
ChemSpider 2094299