| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:48 UTC |
|---|
| Update Date | 2025-03-21 18:31:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00085642 |
|---|
| Frequency | 66.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H14BrN3O3S |
|---|
| Molecular Mass | 394.9939 |
|---|
| SMILES | COc1ccnc(CS(=O)c2nc3ccc(Br)cc3[nH]2)c1OC |
|---|
| InChI Key | ACZTXMOBTPPJFC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzimidazoles |
|---|
| Subclass | sulfinylbenzimidazoles |
|---|
| Direct Parent | sulfinylbenzimidazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalkyl aryl ethersaryl bromidesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesmethylpyridinesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfinyl compoundssulfoxides |
|---|
| Substituents | etherpolyhalopyridinealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineazoleazacycleheteroaromatic compoundmethylpyridinearyl halidepyridineorganic oxygen compoundsulfoxideorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
|---|
