1-(2-Thienyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

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Systematic / IUPAC Name: 1-(2-Thienyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

ID: Reference6742

Other Names: 1-Thiophen-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine;
4H-[1,2,4]Triazolo[3,4-c][1,4]benzothiazine, 1-(2-thienyl)-

Formula: C13H9N3S2

Spectral Data

1-(2-Thienyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine 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 8/18/2017 5:45:53 AM
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Identificators

InChI InChI=1S/C13H9N3S2/c1-2-5-10-9(4-1)16-12(8-18-10)14-15-13(16)11-6-3-7-17-11/h1-7H,8H2
InChI Key MKKPWOKLXHRYLV-UHFFFAOYSA-N
Canonical SMILES C1C2=NN=C(N2C3=CC=CC=C3S1)C4=CC=CS4
CAS
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Other Names 1-Thiophen-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine;
4H-[1,2,4]Triazolo[3,4-c][1,4]benzothiazine, 1-(2-thienyl)-

In Other Databases

ChemSpider 2095016
PubChem 2816685