7-(1,3-Benzothiazol-2-ylsulfanyl)-3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

enlarge

Systematic / IUPAC Name: 7-(1,3-Benzothiazol-2-ylsulfanyl)-3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

ID: Reference4688

Other Names: 1,3-Benzothiazol-2-yl 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl sulfide;
2-({3-[(2-Chlorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-1,3-benzothiazole;
Benzothiazole, 2-({3-[(2-chlorophenyl)methyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl}thio)-

Formula: C18H11ClN6S2

Spectral Data

7-(1,3-Benzothiazol-2-ylsulfanyl)-3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

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 4/27/2016 10:38:47 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H11ClN6S2/c19-12-6-2-1-5-11(12)9-25-16-15(23-24-25)17(21-10-20-16)27-18-22-13-7-3-4-8-14(13)26-18/h1-8,10H,9H2
InChI Key MVDIFGRTOJUIAP-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C(=C1)CN2C3=C(C(=NC=N3)SC4=NC5=CC=CC=C5S4)N=N2)Cl
CAS
Splash
Other Names 1,3-Benzothiazol-2-yl 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl sulfide;
2-({3-[(2-Chlorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-1,3-benzothiazole;
Benzothiazole, 2-({3-[(2-chlorophenyl)methyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl}thio)-

In Other Databases

PubChem 2816130
ChemSpider 2094477