| SpectraBase Spectrum ID |
9M0X6YKHFCg |
| Name |
N-{4-[(4-Bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(2-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/c1-26-17-5-3-2-4-16(17)22-19(27)23-18(25)14-8-6-13(7-9-14)11-24-12-15(20)10-21-24/h2-10,12H,11H2,1H3,(H2,22,23,25,27) |
| InChIKey |
NLTHBNQDXUQATI-UHFFFAOYSA-N |
| Molecular Weight |
445.335 g/mol |
| SMILES |
N(C(NC(C=1C=CC(CN2N=CC(=C2)Br)=CC1)=O)=S)C=1C(OC)=CC=CC1 |
![N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(2-methoxyphenyl)thiourea](/api/spectrum/9M0X6YKHFCg/structure.png?h=300&w=458 "N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(2-methoxyphenyl)thiourea")
