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

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

ID: Reference4491

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

Formula: C21H16N6S3

Spectral Data

5-Methyl-7-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl[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 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/11/2016 8:14:27 AM
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Identificators

InChI InChI=1S/C21H16N6S3/c1-13-22-18-16(29-21(28)27(18)15-11-7-4-8-12-15)19(23-13)30-20-25-24-17(26(20)2)14-9-5-3-6-10-14/h3-12H,1-2H3
InChI Key VBGHZVSQWJVECB-UHFFFAOYSA-N
Canonical SMILES CC1=NC2=C(C(=N1)SC3=NN=C(N3C)C4=CC=CC=C4)SC(=S)N2C5=CC=CC=C5
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Other Names Thiazolo[4,5-d]pyrimidine-2(3H)-thione, 5-methyl-7-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-3-phenyl-

In Other Databases

PubChem 2813730
ChemSpider 2092129