| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:06 UTC |
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| Update Date | 2025-03-21 18:28:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071954 |
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| Frequency | 41.6 |
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| Structure | |
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| Chemical Formula | C8H7N3O2S |
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| Molecular Mass | 209.0259 |
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| SMILES | N#Cc1ccc2c(c1)NCNS2(=O)=O |
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| InChI Key | WXDBSZJRNVXTSY-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 | thiadiazines |
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| Subclass | benzothiadiazines |
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| Direct Parent | 1,2,4-benzothiadiazine-1,1-dioxides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidshydrocarbon derivativesnitrilesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary alkylarylamines |
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| Substituents | organosulfonic acid or derivativesnitrileazacyclesecondary aminesecondary aliphatic/aromatic amineorganosulfonic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compound1,2,4-benzothiadiazine-1,1-dioxidehydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileamine |
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