| SpectraBase Spectrum ID |
F7Bo3elL8v8 |
| Name |
N-{4-[(4-Bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(4-methoxyphenyl)thiourea |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.025559975 u |
| Formula |
C19H17BrN4O2S |
| InChI |
InChI=1S/C19H17BrN4O2S/c1-26-17-8-6-16(7-9-17)22-19(27)23-18(25)14-4-2-13(3-5-14)11-24-12-15(20)10-21-24/h2-10,12H,11H2,1H3,(H2,22,23,25,27) |
| InChIKey |
WWEJMBMDGGGUMZ-UHFFFAOYSA-N |
| Molecular Weight |
445.335 g/mol |
| SMILES |
N(C(NC=1C=CC(=CC1)OC)=S)C(C=1C=CC(CN2N=CC(=C2)Br)=CC1)=O |
![N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(4-methoxyphenyl)thiourea](/api/spectrum/F7Bo3elL8v8/structure.png?h=300&w=458 "N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(4-methoxyphenyl)thiourea")
