| SpectraBase Spectrum ID |
F4bT4iCxQok |
| Name |
4,4'-(1,4-Phenylene)bis(2-amino-6-(5-imino-4-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinonitrile) |
| Appearance |
Brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H22N12S2 |
| InChI |
InChI=1S/C34H22N12S2/c35-17-25-23(15-27(41-29(25)37)31-43-45(33(39)47-31)21-7-3-1-4-8-21)19-11-13-20(14-12-19)24-16-28(42-30(38)26(24)18-36)32-44-46(34(40)48-32)22-9-5-2-6-10-22/h1-16,39-40H,(H2,37,41)(H2,38,42) |
| InChIKey |
COPBESBWUCXYCS-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3088 |
| Molecular Weight |
662.754 g/mol |
| SMILES |
N=C1SC(c2nc(c(c(-c3ccc(-c4cc(nc(c4C#N)N)C=4SC(N(N4)c4ccccc4)=N)cc3)c2)C#N)N)=NN1c1ccccc1 |
| SPLASH |
splash10-053r-3900000000-3e5111b2a3a1a79cd2fc |
| Source of Spectrum |
Y-55-535-10 |
| Wiley ID |
1879027 |
