| SpectraBase Spectrum ID |
6T05ejZK3V |
| Name |
2-[(4-Cyano-3-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-isothiazolyl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.106139549 u |
| Formula |
C24H24N4O2S3 |
| InChI |
InChI=1S/C24H24N4O2S3/c1-14-5-7-19(16(3)9-14)26-21(29)12-31-23-18(11-25)24(33-28-23)32-13-22(30)27-20-8-6-15(2)10-17(20)4/h5-10H,12-13H2,1-4H3,(H,26,29)(H,27,30) |
| InChIKey |
UHIPFXFTOKHSTO-UHFFFAOYSA-N |
| Molecular Weight |
496.662 g/mol |
| SMILES |
N(C(CSC=1C(=C(SCC(NC2=C(C=C(C=C2)C)C)=O)SN1)C#N)=O)C=1C(=CC(=CC1)C)C |
![2-[(4-cyano-3-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-isothiazolyl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide](/api/spectrum/6T05ejZK3V/structure.png?h=300&w=458 "2-[(4-cyano-3-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-isothiazolyl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide")
