| SpectraBase Spectrum ID |
bOOz6uTl5z |
| Name |
(S)-2-(3-(5-Methyl-1-(naphthalen-2-yl)-1H-1,2,3-triazol-4-yl)-3-oxo-1-phenylpropyl)malononitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.158960251 u |
| Formula |
C25H19N5O |
| InChI |
InChI=1S/C25H19N5O/c1-17-25(24(31)14-23(21(15-26)16-27)19-8-3-2-4-9-19)28-29-30(17)22-12-11-18-7-5-6-10-20(18)13-22/h2-13,21,23H,14H2,1H3/t23-/m1/s1 |
| InChIKey |
XLPJITGTQXLLBA-HSZRJFAPSA-N |
| Molecular Weight |
405.461 g/mol |
| SMILES |
C(C(C#N)[C@](CC(C1=C(N(N=N1)C1=CC=2C(C=C1)=CC=CC2)C)=O)(C1=CC=CC=C1)[H])#N |
