| SpectraBase Spectrum ID |
P4Y1C19pQj |
| Name |
(S)-2-(3-(1-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-3-oxo-1-(p-tolyl)propyl)malononitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H18ClN5O |
| InChI |
InChI=1S/C22H18ClN5O/c1-14-7-9-16(10-8-14)18(17(12-24)13-25)11-21(29)22-15(2)28(27-26-22)20-6-4-3-5-19(20)23/h3-10,17-18H,11H2,1-2H3/t18-/m1/s1 |
| InChIKey |
JYDTWMLRYYZXPF-GOSISDBHSA-N |
| Literature Reference DOI |
10.1039/c4gc00386a |
| Molecular Weight |
403.873 g/mol |
| SMILES |
C(C(C#N)[C@]([H])(CC(c1c(C)[n](nn1)-c1c(cccc1)Cl)=O)c1ccc(cc1)C)#N |
| SPLASH |
splash10-0w2c-2900000000-3ea61abdbbbe9f2af2ab |
| Source of Spectrum |
GCH-16-3454/SM11-6g |
| Wiley ID |
1755417 |
