IAJ
Summary
Name: | 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
Formula: | C9 H7 N3 O S |
Formal charge: | 0 |
Formula weight: | 205.236 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C9H7N3OS/c1-13-6-3-2-4-7-8(6)12-5-10-11-9(12)14-7/h2-5H,1H3 |
InChIKey | InChI | 1.06 | GAZBYHNTJJLBRO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc2sc3nncn3c12 |
SMILES | CACTVS | 3.385 | COc1cccc2sc3nncn3c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc2c1n3cnnc3s2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc2c1n3cnnc3s2 |