N1-Allyl-2-({4-methyl-5-[(2-thienylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)acetamide

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Systematic / IUPAC Name: N-Allyl-2-({4-methyl-5-[(2-thienylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

ID: Reference4531

Other Names: Acetamide, 2-({4-methyl-5-[(2-thienylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-2-propen-1-yl-

Formula: C13H16N4OS3

Spectral Data

N1-Allyl-2-({4-methyl-5-[(2-thienylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)acetamide 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/12/2016 2:29:13 PM
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Identificators

InChI InChI=1S/C13H16N4OS3/c1-3-6-14-11(18)9-21-13-16-15-10(17(13)2)8-20-12-5-4-7-19-12/h3-5,7H,1,6,8-9H2,2H3,(H,14,18)
InChI Key BTXVACWIZORWNM-UHFFFAOYSA-N
Canonical SMILES CN1C(=NN=C1SCC(=O)NCC=C)CSC2=CC=CS2
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Other Names Acetamide, 2-({4-methyl-5-[(2-thienylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-2-propen-1-yl-

In Other Databases

PubChem 2820707
ChemSpider 2098936