| SpectraBase Spectrum ID |
phZK9JvCTL |
| Name |
3-[(4-chloranylphenoxy)methyl]-8-(5-nitrofuran-2-yl)-6-phenyl-[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 |
C22H14ClN5O4S |
| InChI |
InChI=1S/C22H14ClN5O4S/c23-15-6-8-16(9-7-15)31-13-20-24-25-22-27(20)26-17(14-4-2-1-3-5-14)12-19(33-22)18-10-11-21(32-18)28(29)30/h1-12H,13H2 |
| InChIKey |
USXKICSNLQSNMC-UHFFFAOYSA-N |
| Molecular Weight |
479.898 g/mol |
| SMILES |
c12SC(=CC(=N[n]2c(nn1)COc1ccc(cc1)Cl)c1ccccc1)c1oc(cc1)N(=O)=O |
| SPLASH |
splash10-0udi-0009200000-0ce9c1aeaf7180ea9a43 |
| Source of Spectrum |
Y1-42-3116-8 |
| Synonyms |
3-[(4-chlorophenoxy)methyl]-8-(5-nitro-2-furanyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
3-[(4-chlorophenoxy)methyl]-8-(5-nitro-2-furyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
3-[(4-chlorophenoxy)methyl]-8-(5-nitrofuran-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine |
| Wiley ID |
1565374 |
![3-[(4-chloranylphenoxy)methyl]-8-(5-nitrofuran-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine](/api/spectrum/phZK9JvCTL/structure.png?h=300&w=458 "3-[(4-chloranylphenoxy)methyl]-8-(5-nitrofuran-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine")
