| SpectraBase Spectrum ID |
1w05mWLSKPK |
| Name |
(R)-2-(4-Chlorophenyl)-4-(5-methyl-1-(p-tolyl)-1H-1,2,3-triazol-4-yl)-4-oxobutanenitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.109088882 u |
| Formula |
C20H17ClN4O |
| InChI |
InChI=1S/C20H17ClN4O/c1-13-3-9-18(10-4-13)25-14(2)20(23-24-25)19(26)11-16(12-22)15-5-7-17(21)8-6-15/h3-10,16H,11H2,1-2H3/t16-/m0/s1 |
| InChIKey |
TZGGXRFYMJYRNS-INIZCTEOSA-N |
| Molecular Weight |
364.836 g/mol |
| SMILES |
[C@@](CC(C1=C(C)N(N=N1)C1=CC=C(C=C1)C)=O)(C#N)(C1=CC=C(C=C1)Cl)[H] |
