| SpectraBase Spectrum ID |
AawgSM5F3YC |
| Name |
(S)-2-(1-(4-chlorophenyl)-3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-3-oxopropyl)malononitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16ClN5O |
| InChI |
InChI=1S/C21H16ClN5O/c1-14-21(25-26-27(14)18-5-3-2-4-6-18)20(28)11-19(16(12-23)13-24)15-7-9-17(22)10-8-15/h2-10,16,19H,11H2,1H3/t19-/m1/s1 |
| InChIKey |
NCPSKEZWKAZEJJ-LJQANCHMSA-N |
| Literature Reference DOI |
10.1039/c4gc00386a |
| Molecular Weight |
389.846 g/mol |
| SMILES |
C(C(C#N)[C@]([H])(CC(c1c(C)[n](-c2ccccc2)nn1)=O)c1ccc(cc1)Cl)#N |
| SPLASH |
splash10-00or-9810000000-d49e391fae2583479172 |
| Source of Spectrum |
GCH-16-3454/SM11-6c |
| Wiley ID |
1755413 |
