I1B
6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Created: | 2022-02-08 |
Last modified: | 2023-01-25 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 25 |
Aromatic Bond Count | 14 |
Chemical Component Summary | |
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Name | 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
Synonyms | 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole |
Systematic Name (OpenEye OEToolkits) | 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
Formula | C10 H9 N3 S |
Molecular Weight | 203.264 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Cc1cc(C)c2n3cnnc3sc2c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2c(c1)sc3n2cnn3)C |
Canonical SMILES | CACTVS | 3.385 | Cc1cc(C)c2n3cnnc3sc2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2c(c1)sc3n2cnn3)C |
InChI | InChI | 1.06 | InChI=1S/C10H9N3S/c1-6-3-7(2)9-8(4-6)14-10-12-11-5-13(9)10/h3-5H,1-2H3 |
InChIKey | InChI | 1.06 | OSXXJJFPJYFCPT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 326031 |