| SpectraBase Spectrum ID |
1Y5Lg0oK4Qn |
| Name |
4-Amino-5-(3,4-dimethoxybenzoyl)-2-[3-(trifluoromethyl)anilino]-3-thiophenecarbonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.086447047 u |
| Formula |
C21H16F3N3O3S |
| InChI |
InChI=1S/C21H16F3N3O3S/c1-29-15-7-6-11(8-16(15)30-2)18(28)19-17(26)14(10-25)20(31-19)27-13-5-3-4-12(9-13)21(22,23)24/h3-9,27H,26H2,1-2H3 |
| InChIKey |
JPTVSUSNRFIJDA-UHFFFAOYSA-N |
| Molecular Weight |
447.432 g/mol |
| SMILES |
N(C1=C(C(=C(S1)C(C1=CC(OC)=C(C=C1)OC)=O)N)C#N)C1=CC(C(F)(F)F)=CC=C1 |
![4-Amino-5-(3,4-dimethoxybenzoyl)-2-[3-(trifluoromethyl)anilino]-3-thiophenecarbonitrile](/api/spectrum/1Y5Lg0oK4Qn/structure.png?h=300&w=458 "4-Amino-5-(3,4-dimethoxybenzoyl)-2-[3-(trifluoromethyl)anilino]-3-thiophenecarbonitrile")
