| SpectraBase Spectrum ID |
7xr1yNjtzyN |
| Name |
2-[4-(2-Cyanoethylthio)-5-methylthio-1,3-thiole-2-ylidene]-N-tosyl-[1,3]-dithiolo[4,5-c]pyrrole |
| Alternate Name(s) |
3-[[2-[5-(4-methylphenyl)sulfonyl-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-5-(methylthio)-1,3-dithiol-4-yl]thio]propanenitrile
3-[[5-methylsulfanyl-2-[5-(p-tolylsulfonyl)-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]propanenitrile
3-[[2-[5-(4-methylphenyl)sulfonyl-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]propanenitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H16N2O2S7 |
| InChI |
InChI=1S/C19H16N2O2S7/c1-12-4-6-13(7-5-12)30(22,23)21-10-14-15(11-21)27-18(26-14)19-28-16(24-2)17(29-19)25-9-3-8-20/h4-7,10-11H,3,9H2,1-2H3 |
| InChIKey |
OKPVYWKKXLJUBT-UHFFFAOYSA-N |
| Molecular Weight |
528.769 g/mol |
| SMILES |
c1[n](S(c2ccc(cc2)C)(=O)=O)cc2SC(Sc12)=C1SC(SC)=C(S1)SCCC#N |
| SPLASH |
splash10-00fr-0008090000-f167c2f28c1dadfc7c36 |
| Source of Spectrum |
J-65-5802-25 |
| Wiley ID |
1533170 |
![2-[4-(2-Cyanoethylthio)-5-methylthio-1,3-thiole-2-ylidene]-N-tosyl-[1,3]-dithiolo[4,5-c]pyrrole](/api/spectrum/7xr1yNjtzyN/structure.png?h=300&w=458 "2-[4-(2-Cyanoethylthio)-5-methylthio-1,3-thiole-2-ylidene]-N-tosyl-[1,3]-dithiolo[4,5-c]pyrrole")
