SpectraBase Spectrum ID |
1QJplbBnG4 |
Name |
1,4-Bis{4-(3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-yl)phenoxy}butane |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C36H30N8O2S2 |
InChI |
InChI=1S/C36H30N8O2S2/c1-3-9-27(10-4-1)33-37-39-35-43(33)41-31(23-47-35)25-13-17-29(18-14-25)45-21-7-8-22-46-30-19-15-26(16-20-30)32-24-48-36-40-38-34(44(36)42-32)28-11-5-2-6-12-28/h1-6,9-20H,7-8,21-24H2 |
InChIKey |
BBSAEDPXBXFSHY-UHFFFAOYSA-N |
Molecular Weight |
670.810 g/mol |
SMILES |
C(CCCOc1ccc(cc1)C1=N[n]2c(SC1)nnc2-c1ccccc1)Oc1ccc(cc1)C1=N[n]2c(SC1)nnc2-c1ccccc1 |
SPLASH |
splash10-0a59-8319203000-304d89c0ee44ba4564b1 |
Source of Spectrum |
Y-49-644-11b |
Wiley ID |
1716696 |