N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(3-thienylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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Systematic / IUPAC Name: N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(thiophen-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl}acetamide

ID: Reference6001

Other Names: N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(thiophen-3-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;
Acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(3-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio}-

Formula: C18H18N4O3S2

Spectral Data

N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(3-thienylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/16/2016 1:41:56 PM
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Identificators

InChI InChI=1S/C18H18N4O3S2/c1-22-16(8-12-4-7-26-10-12)20-21-18(22)27-11-17(23)19-13-2-3-14-15(9-13)25-6-5-24-14/h2-4,7,9-10H,5-6,8,11H2,1H3,(H,19,23)
InChI Key FNAUZYLYZCYZRB-UHFFFAOYSA-N
Canonical SMILES CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)CC4=CSC=C4
CAS
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Other Names N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(thiophen-3-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;
Acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(3-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio}-

In Other Databases

ChemSpider 2092755
PubChem 2814366