| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:59 UTC |
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| Update Date | 2025-03-21 18:04:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050462 |
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| Frequency | 93.1 |
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| Structure | |
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| Chemical Formula | C16H16ClN3O2S |
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| Molecular Mass | 349.0652 |
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| SMILES | COc1c(C)cnc(CS(=O)c2nc3ccc(Cl)cc3[nH]2)c1C |
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| InChI Key | VFKJWKATISLSCB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzimidazoles |
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| Subclass | sulfinylbenzimidazoles |
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| Direct Parent | sulfinylbenzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersaryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesmethylpyridinesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfinyl compoundssulfoxides |
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| Substituents | etherpolyhalopyridineorganochloridealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineazolearyl chlorideazacycleheteroaromatic compoundmethylpyridinearyl halidepyridineorganic oxygen compoundsulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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