| SpectraBase Spectrum ID |
LxEyPfB49Te |
| Name |
3-[(4-chloranylphenoxy)methyl]-6-(4-chlorophenyl)-8-(5-nitrofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine |
| Alternate Name(s) |
3-[(4-chlorophenoxy)methyl]-6-(4-chlorophenyl)-8-(5-nitro-2-furanyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
3-[(4-chlorophenoxy)methyl]-6-(4-chlorophenyl)-8-(5-nitro-2-furyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
3-[(4-chlorophenoxy)methyl]-6-(4-chlorophenyl)-8-(5-nitrofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H13Cl2N5O4S |
| InChI |
InChI=1S/C22H13Cl2N5O4S/c23-14-3-1-13(2-4-14)17-11-19(18-9-10-21(33-18)29(30)31)34-22-26-25-20(28(22)27-17)12-32-16-7-5-15(24)6-8-16/h1-11H,12H2 |
| InChIKey |
LQSBWIQVVJKHIE-UHFFFAOYSA-N |
| Molecular Weight |
514.343 g/mol |
| SMILES |
c12SC(=CC(=N[n]2c(nn1)COc1ccc(cc1)Cl)c1ccc(cc1)Cl)c1oc(cc1)N(=O)=O |
| SPLASH |
splash10-000i-0009020000-79c85c3983eab7c35f01 |
| Source of Spectrum |
Y1-42-3116-8 |
| Wiley ID |
1565375 |
![3-[(4-chloranylphenoxy)methyl]-6-(4-chlorophenyl)-8-(5-nitrofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine](/api/spectrum/LxEyPfB49Te/structure.png?h=300&w=458 "3-[(4-chloranylphenoxy)methyl]-6-(4-chlorophenyl)-8-(5-nitrofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine")
