| SpectraBase Spectrum ID |
2DpqcVTUMNQ |
| Name |
2-{[4-Allyl-5-(10H-phenothiazin-10-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.084531359 u |
| Formula |
C26H21ClN4OS2 |
| InChI |
InChI=1S/C26H21ClN4OS2/c1-2-15-30-25(28-29-26(30)33-17-22(32)18-11-13-19(27)14-12-18)16-31-20-7-3-5-9-23(20)34-24-10-6-4-8-21(24)31/h2-14H,1,15-17H2 |
| InChIKey |
HBJKDBJIJXJWGB-UHFFFAOYSA-N |
| Molecular Weight |
505.054 g/mol |
| SMILES |
C(N1C=2C(=CC=CC2)SC2=C1C=CC=C2)C=1N(C(SCC(C2=CC=C(C=C2)Cl)=O)=NN1)CC=C |
![2-{[4-allyl-5-(10H-phenothiazin-10-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone](/api/spectrum/2DpqcVTUMNQ/structure.png?h=300&w=458 "2-{[4-allyl-5-(10H-phenothiazin-10-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone")
