N-(2-{[4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N'-methylurea

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

ID: Reference8644

Other Names: N-({[4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N'-methylurea;
N-(Methylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Formula: C14H16N6O2S

Spectral Data

N-(2-{[4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N'-methylurea 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 220
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2019 11:09:59 AM
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Identificators

InChI InChI=1S/C14H16N6O2S/c1-3-8-20-12(10-4-6-16-7-5-10)18-19-14(20)23-9-11(21)17-13(22)15-2/h3-7H,1,8-9H2,2H3,(H2,15,17,21,22)
InChI Key AMZDMZAIIDWFBT-UHFFFAOYSA-N
Canonical SMILES CNC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=NC=C2
CAS
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Other Names N-({[4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N'-methylurea;
N-(Methylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

In Other Databases

PubChem 2816417
ChemSpider 2094757