| SpectraBase Spectrum ID |
2GIaVP5iD8X |
| Name |
p-{[4-(p-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-C]pyridin-5-yl]sulfonyl}benzonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.026347777 u |
| Formula |
C20H15ClN2O2S2 |
| InChI |
InChI=1S/C20H15ClN2O2S2/c21-16-5-3-15(4-6-16)20-18-10-12-26-19(18)9-11-23(20)27(24,25)17-7-1-14(13-22)2-8-17/h1-8,10,12,20H,9,11H2 |
| InChIKey |
SCRYDCBNQDUCFC-UHFFFAOYSA-N |
| Molecular Weight |
414.925 g/mol |
| SMILES |
C1=CC(=CC=C1C1N(CCC=2SC=CC12)S(=O)(=O)C=1C=CC(=CC1)C#N)Cl |
![p-{[4-(p-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-C]pyridin-5-yl]sulfonyl}benzonitrile](/api/spectrum/2GIaVP5iD8X/structure.png?h=300&w=458 "p-{[4-(p-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-C]pyridin-5-yl]sulfonyl}benzonitrile")
