| SpectraBase Spectrum ID |
KqXSZZqI6Fg |
| Name |
3-Cyano-5-amino-4-[(3-nitrophenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H8Cl2F3N5O2S |
| InChI |
InChI=1S/C17H8Cl2F3N5O2S/c18-11-4-8(17(20,21)22)5-12(19)14(11)26-16(24)15(13(7-23)25-26)30-10-3-1-2-9(6-10)27(28)29/h1-6H,24H2 |
| InChIKey |
IAVKMZGOTYAYGN-UHFFFAOYSA-N |
| Molecular Weight |
474.245 g/mol |
| SMILES |
Nc1[n](nc(C#N)c1Sc1cc(N(=O)=O)ccc1)-c1c(cc(C(F)(F)F)cc1Cl)Cl |
| SPLASH |
splash10-00fr-0000900000-6505dabd1793cdb8f30d |
| Source of Spectrum |
F4-41-925-14 |
| Wiley ID |
1672227 |
![3-Cyano-5-amino-4-[(3-nitrophenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole](/api/spectrum/KqXSZZqI6Fg/structure.png?h=300&w=458 "3-Cyano-5-amino-4-[(3-nitrophenyl)thio]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole")
