| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:41 UTC |
|---|
| Update Date | 2025-03-21 18:37:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00116844 |
|---|
| Frequency | 22.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H11N3OS |
|---|
| Molecular Mass | 257.0623 |
|---|
| SMILES | O=S(Cc1ccccn1)c1nc2ccccc2[nH]1 |
|---|
| InChI Key | HBDKFZNDMVLSHM-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-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridines and derivativessulfinyl compoundssulfoxides |
|---|
| Substituents | azacycleheteroaromatic compoundsulfinylbenzimidazoleorganosulfur compoundorganic oxidepyridineorganic oxygen compoundsulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundazole |
|---|
