3-Allyl-7-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl][1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione

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Systematic / IUPAC Name: 3-Allyl-7-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl][1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione

ID: Reference5680

Other Names: Thiazolo[4,5-d]pyrimidine-2(3H)-thione, 7-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-3-(2-propen-1-yl)-

Formula: C22H16N6S3

Spectral Data

3-Allyl-7-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl][1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione 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 9/22/2016 10:25:26 AM
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Identificators

InChI InChI=1S/C22H16N6S3/c1-2-13-27-19-17(30-22(27)29)20(24-14-23-19)31-21-26-25-18(15-9-5-3-6-10-15)28(21)16-11-7-4-8-12-16/h2-12,14H,1,13H2
InChI Key HTUYTFMJEKUYCL-UHFFFAOYSA-N
Canonical SMILES C=CCN1C2=C(C(=NC=N2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)SC1=S
CAS
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Other Names Thiazolo[4,5-d]pyrimidine-2(3H)-thione, 7-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-3-(2-propen-1-yl)-

In Other Databases

ChemSpider 2093513
PubChem 2815146