I6D
7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Created: | 2022-02-12 |
Last modified: | 2023-02-08 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 20 |
Chiral Atom Count | 0 |
Bond Count | 22 |
Aromatic Bond Count | 14 |
Chemical Component Summary | |
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Name | 7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
Systematic Name (OpenEye OEToolkits) | 7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
Formula | C9 H7 N3 S |
Molecular Weight | 189.237 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Cc1ccc2sc3nncn3c2c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)n3cnnc3s2 |
Canonical SMILES | CACTVS | 3.385 | Cc1ccc2sc3nncn3c2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)n3cnnc3s2 |
InChI | InChI | 1.06 | InChI=1S/C9H7N3S/c1-6-2-3-8-7(4-6)12-5-10-11-9(12)13-8/h2-5H,1H3 |
InChIKey | InChI | 1.06 | AYAUSTLAUXOBIN-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 13849190 |