I1Q
Summary
| Name: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
| Synonyms: | 7-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole |
| Formula: | C9 H7 N3 S |
| Formal charge: | 0 |
| Formula weight: | 189.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H7N3S/c1-6-2-3-7-8(4-6)13-9-11-10-5-12(7)9/h2-5H,1H3 |
| InChIKey | InChI | 1.06 | HRBVAEOOKCYONQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2n3cnnc3sc2c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2n3cnnc3sc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)sc3n2cnn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)sc3n2cnn3 |
