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
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.
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 |
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 |