5-({[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}methyl)-2,1,3-benzoxadiazole

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Systematic / IUPAC Name: 5-({[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}methyl)-2,1,3-benzoxadiazole

ID: Reference3658

Other Names: 2,1,3-Benzoxadiazole, 5-({[4-(2-thienyl)-2-pyrimidinyl]thio}methyl)- ;
5-({[4-(Thiophen-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole

Formula: C15H10N4OS2

Spectral Data

5-({[4-(2-Thienyl)-2-pyrimidinyl]sulfanyl}methyl)-2,1,3-benzoxadiazole 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 1/29/2016 12:32:40 PM
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Identificators

InChI InChI=1S/C15H10N4OS2/c1-2-14(21-7-1)12-5-6-16-15(17-12)22-9-10-3-4-11-13(8-10)19-20-18-11/h1-8H,9H2
InChI Key PCNVVNRRDWXBTM-UHFFFAOYSA-N
Canonical SMILES C1=CSC(=C1)C2=NC(=NC=C2)SCC3=CC4=NON=C4C=C3
CAS
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Other Names 2,1,3-Benzoxadiazole, 5-({[4-(2-thienyl)-2-pyrimidinyl]thio}methyl)- ;
5-({[4-(Thiophen-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole

In Other Databases

ChemSpider 2090289
PubChem 2811879