| SpectraBase Spectrum ID |
8UuhmiQHUec |
| Name |
[3-(1,3-Benzothiazol-2-ylcarbonyl)-1-phenyl-pyrazol-4-yl]-thiophen-2-yl-methanone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.044919017 u |
| Formula |
C22H13N3O2S2 |
| InChI |
InChI=1S/C22H13N3O2S2/c26-20(18-11-6-12-28-18)15-13-25(14-7-2-1-3-8-14)24-19(15)21(27)22-23-16-9-4-5-10-17(16)29-22/h1-13H |
| InChIKey |
ADQFIXLLJFQORN-UHFFFAOYSA-N |
| Molecular Weight |
415.485 g/mol |
| SMILES |
C=1(C(=NN(C1)C1=CC=CC=C1)C(C1=NC=2C=CC=CC2S1)=O)C(C=1SC=CC1)=O |
![[3-(1,3-Benzothiazol-2-ylcarbonyl)-1-phenyl-pyrazol-4-yl]-thiophen-2-yl-methanone](/api/spectrum/8UuhmiQHUec/structure.png?h=300&w=458 "[3-(1,3-Benzothiazol-2-ylcarbonyl)-1-phenyl-pyrazol-4-yl]-thiophen-2-yl-methanone")
