| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:09 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162793 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2OS |
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| Molecular Mass | 220.067 |
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| SMILES | O=C(NCc1ccccc1)C1=NCCS1 |
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| InChI Key | NJUYJVHFKKJJOH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidesthiazolines |
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| Substituents | monocyclic benzene moietycarbonyl groupmeta-thiazolinearomatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundcarboxamide groupcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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