| SpectraBase Spectrum ID |
HmbpkkoclMV |
| Name |
1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(3,5-dibromo-2-hydroxyphenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H21Br2Cl2N5OS |
| InChI |
InChI=1S/C25H21Br2Cl2N5OS/c1-2-3-4-21-31-22(24(29)32-21)20-11-18(16-9-14(26)10-17(27)23(16)35)33-34(20)25-30-19(12-36-25)13-5-7-15(28)8-6-13/h5-10,12,20,35H,2-4,11H2,1H3,(H,31,32) |
| InChIKey |
BTMCZKWBVKBOBN-UHFFFAOYSA-N |
| Molecular Weight |
670.251 g/mol |
| SMILES |
[nH]1c(nc(c1C1N(N=C(c2c(c(cc(c2)Br)Br)O)C1)c1nc(-c2ccc(cc2)Cl)cs1)Cl)CCCC |
| SPLASH |
splash10-00di-0000009000-26d4a5bf57c1034c092b |
| Source of Spectrum |
F2-45-391-3o |
| Wiley ID |
1688819 |
