| SpectraBase Spectrum ID |
HAdgElG7apz |
| Name |
(Z)-N-[(E)-phenyl({[(E)-phenyl({[(Z)-(1H-1,2,4-triazol-3-yl)thio(carbonoimidyl)]imino})methoxy]cuprio}oxy)methylidene]-N'-(1H-1,2,4-triazol-3-yl)carbamimidothioic acid trihydrate |
| Appearance |
White |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22CuN10O5S2 |
| InChI |
InChI=1S/2C10H9N5OS.Cu.3H2O/c2*16-8(7-4-2-1-3-5-7)13-10(17)14-9-11-6-12-15-9;;;;/h2*1-6H,(H3,11,12,13,14,15,16,17);;3*1H2/q;;+2;;;/p-2 |
| InChIKey |
FEPKUCYESZNABJ-UHFFFAOYSA-L |
| Instrument Name |
Varian Mat-311 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/aoc.6037 |
| Molecular Weight |
610.127 g/mol |
| SMILES |
O.[nH]1nc(\N=C/(\N=C/(O[Cu]O\C(=N\C(=N\c2nc[nH]n2)S)c2ccccc2)c2ccccc2)S)nc1.O.O |
| SPLASH |
splash10-014i-9000000000-543d400a27e6bb236fba |
| Source of Spectrum |
AOC-35-SM8-Fig. S5 |
| Wiley ID |
1855782 |
![(Z)-N-[(E)-phenyl({[(E)-phenyl({[(Z)-(1H-1,2,4-triazol-3-yl)thio(carbonoimidyl)]imino})methoxy]cuprio}oxy)methylidene]-N'-(1H-1,2,4-triazol-3-yl)carbamimidothioic acid trihydrate](/api/spectrum/HAdgElG7apz/structure.png?h=300&w=458 "(Z)-N-[(E)-phenyl({[(E)-phenyl({[(Z)-(1H-1,2,4-triazol-3-yl)thio(carbonoimidyl)]imino})methoxy]cuprio}oxy)methylidene]-N'-(1H-1,2,4-triazol-3-yl)carbamimidothioic acid trihydrate")
