| SpectraBase Spectrum ID |
5r7oyyJRaRb |
| Name |
2-((trans)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-(4-bromobenzylidene)thiazol-4(5H)-one |
| Alternate Name(s) |
(E)-2-((3R,3aR,E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-(4-bromobenzylidene)thiazol-4(5H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H24BrN3OS |
| InChI |
InChI=1S/C30H24BrN3OS/c31-24-16-14-21(15-17-24)19-26-29(35)32-30(36-26)34-28(22-10-5-2-6-11-22)25-13-7-12-23(27(25)33-34)18-20-8-3-1-4-9-20/h1-6,8-11,14-19,25,28H,7,12-13H2/b23-18+,26-19+/t25-,28-/m0/s1 |
| InChIKey |
DQGXVHWEWUCJON-AVTYTTKESA-N |
| Literature Reference DOI |
10.1002/ardp.200300796 |
| Molecular Weight |
554.506 g/mol |
| SMILES |
[C@@]1(N(N=C2\C(CCC[C@]12[H])=C/c1ccccc1)C=1S\C(C(N1)=O)=C/c1ccc(cc1)Br)(c1ccccc1)[H] |
| SPLASH |
splash10-00b9-6950000000-9b7314b53f7230eac557 |
| Source of Spectrum |
APP-336-558-4a |
| Wiley ID |
1770690 |
