| SpectraBase Spectrum ID |
HUyy4TT4iBE |
| Name |
3-Pyridinecarbonitrile, 2-[[(4-chlorophenyl)methyl]thio]-4-(4-fluorophenyl)-6-phenyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.070675560 u |
| Formula |
C25H16ClFN2S |
| InChI |
InChI=1S/C25H16ClFN2S/c26-20-10-6-17(7-11-20)16-30-25-23(15-28)22(18-8-12-21(27)13-9-18)14-24(29-25)19-4-2-1-3-5-19/h1-14H,16H2 |
| InChIKey |
TVZGYDFNXIIQQR-UHFFFAOYSA-N |
| Molecular Weight |
430.928 g/mol |
| SMILES |
C1(=C(N=C(C=C1C1=CC=C(C=C1)F)C=1C=CC=CC1)SCC=1C=CC(=CC1)Cl)C#N |
![3-Pyridinecarbonitrile, 2-[[(4-chlorophenyl)methyl]thio]-4-(4-fluorophenyl)-6-phenyl-](/api/spectrum/HUyy4TT4iBE/structure.png?h=300&w=458 "3-Pyridinecarbonitrile, 2-[[(4-chlorophenyl)methyl]thio]-4-(4-fluorophenyl)-6-phenyl-")
