| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:44 UTC |
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| Update Date | 2025-03-25 00:59:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234986 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13N3S |
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| Molecular Mass | 279.083 |
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| SMILES | c1ccc2[nH]c(SCc3c[nH]c4ccccc34)nc2c1 |
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| InChI Key | PTDLSGRHHUGLDG-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 | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesindolesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfenyl compounds |
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| Substituents | sulfenyl compoundazacycleindoleheteroaromatic compoundindole or derivativesalkylarylthioetherorganosulfur compoundaryl thioetheraromatic heteropolycyclic compoundthioetherbenzimidazoleimidazolepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundazole |
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