4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide

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Systematic / IUPAC Name: 4-[(4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

ID: Reference4574

Other Names: 4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide

Formula: C21H19N5S2

Spectral Data

4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide 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 4/15/2016 1:04:24 PM
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Identificators

InChI InChI=1S/C21H19N5S2/c1-2-12-26-18(14-8-4-3-5-9-14)24-25-21(26)28-20-17-15-10-6-7-11-16(15)27-19(17)22-13-23-20/h2-5,8-9,13H,1,6-7,10-12H2
InChI Key PQAQQYGOSAGJRR-UHFFFAOYSA-N
Canonical SMILES C=CCN1C(=NN=C1SC2=NC=NC3=C2C4=C(S3)CCCC4)C5=CC=CC=C5
CAS
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Other Names 4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide

In Other Databases

ChemSpider 2092997
PubChem 2814611