| SpectraBase Spectrum ID |
BFhiNxAR4jy |
| Name |
1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(3,5-dichloro-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 |
C25H21Cl4N5OS |
| InChI |
InChI=1S/C25H21Cl4N5OS/c1-2-3-4-21-31-22(24(29)32-21)20-11-18(16-9-15(27)10-17(28)23(16)35)33-34(20)25-30-19(12-36-25)13-5-7-14(26)8-6-13/h5-10,12,20,35H,2-4,11H2,1H3,(H,31,32) |
| InChIKey |
BVGALQMLUSUUCD-UHFFFAOYSA-N |
| Molecular Weight |
581.349 g/mol |
| SMILES |
[nH]1c(nc(c1C1N(N=C(c2c(c(cc(c2)Cl)Cl)O)C1)c1nc(-c2ccc(cc2)Cl)cs1)Cl)CCCC |
| SPLASH |
splash10-001r-0000090000-1bfb54b1b82300ff4504 |
| Source of Spectrum |
F2-45-391-3p |
| Wiley ID |
1688818 |
