| SpectraBase Spectrum ID |
4XCSwrfPa0w |
| Name |
N-{4-[(4-Bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(2-methylphenyl)thiourea |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.030645356 u |
| Formula |
C19H17BrN4OS |
| InChI |
InChI=1S/C19H17BrN4OS/c1-13-4-2-3-5-17(13)22-19(26)23-18(25)15-8-6-14(7-9-15)11-24-12-16(20)10-21-24/h2-10,12H,11H2,1H3,(H2,22,23,25,26) |
| InChIKey |
SWNJAUPIDAYKQB-UHFFFAOYSA-N |
| Molecular Weight |
429.336 g/mol |
| SMILES |
N(C(NC1=C(C)C=CC=C1)=S)C(C1=CC=C(CN2N=CC(=C2)Br)C=C1)=O |
![N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(2-methylphenyl)thiourea](/api/spectrum/4XCSwrfPa0w/structure.png?h=300&w=458 "N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(2-methylphenyl)thiourea")
