Systematic / IUPAC Name: 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile
ID: Reference3301
Other Names:
BR-59607;
Femara;
Letrozol;
1-[Bis(4-cyanophenyl)methyl]-1,2,4-triazole;
4,4'-[(1H-1,2,4-Triazol-1-yl)methylene]dibenzonitrile
; more
Formula: C17H11N5
Class: Therapeutics/Prescription Drugs Sports Doping Drugs
Letrozole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Plus Orbitrap |
No. of Spectral Trees | 2 |
No. of Spectra | 134 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 11/10/2015 8:29:04 AM |
InChI | InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H |
InChI Key | HPJKCIUCZWXJDR-UHFFFAOYSA-N |
Canonical SMILES | C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3 |
CAS | 112809515 |
Splash | |
Other Names |
BR-59607; Femara; Letrozol; 1-[Bis(4-cyanophenyl)methyl]-1,2,4-triazole; 4,4'-[(1H-1,2,4-Triazol-1-yl)methylene]dibenzonitrile ; 4,4'-(1H-1,2,4-Triazol-1-ylmethanediyl)dibenzonitrile; 4,4'-(1H-1,2,4-Triazol-1-yl-methylene)-bis(benzonitrile); 4-[(4-Cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile; 4-[(4-Cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile ; 4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile ; Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-; Letrazole |