| SpectraBase Spectrum ID |
4GQFxANQ5Q |
| Name |
2-{[5-({2-(4-Chlorophenyl)-2-[(2,4-dichlorobenzyl)oxy]ethyl}thio)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-{[(1Z)-(2-hydroxyphenyl)methylene]amino}-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
719.103992061 u |
| Formula |
C34H28Cl3N7O3S |
| InChI |
InChI=1S/C34H28Cl3N7O3S/c1-22-41-42(34(46)44(22)38-18-24-7-5-6-10-30(24)45)19-32-39-40-33(43(32)28-8-3-2-4-9-28)48-21-31(23-11-14-26(35)15-12-23)47-20-25-13-16-27(36)17-29(25)37/h2-18,31,45H,19-21H2,1H3/b38-18- |
| InChIKey |
DDXSVYGZGBZAKP-FRKGHFGRSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.4560 |
| SMILES |
OC1=C(\C=N/N2C(=NN(CC=3N(C(SCC(C4=CC=C(C=C4)Cl)OCC4=C(C=C(C=C4)Cl)Cl)=NN3)C3=CC=CC=C3)C2=O)C)C=CC=C1 |
| SPLASH |
splash10-00fs-0400307900-1bf9954c107dd6a1f845 |
| Source of Spectrum |
Y-60-60-10a (DOI: 10.1002/jhet.4560) |
| Wiley ID |
1892511 |
![2-{[5-({2-(4-Chlorophenyl)-2-[(2,4-dichlorobenzyl)oxy]ethyl}thio)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-{[(1Z)-(2-hydroxyphenyl)methylene]amino}-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one](/api/spectrum/4GQFxANQ5Q/structure.png?h=300&w=458 "2-{[5-({2-(4-Chlorophenyl)-2-[(2,4-dichlorobenzyl)oxy]ethyl}thio)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-{[(1Z)-(2-hydroxyphenyl)methylene]amino}-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one")
