I4X
Summary
| Name: | 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
| Formula: | C11 H11 N3 S |
| Formal charge: | 0 |
| Formula weight: | 217.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11N3S/c1-7(2)8-3-4-9-10(5-8)15-11-13-12-6-14(9)11/h3-7H,1-2H3 |
| InChIKey | InChI | 1.06 | AIOAOVHICBFQFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc2n3cnnc3sc2c1 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc2n3cnnc3sc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc2c(c1)sc3n2cnn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc2c(c1)sc3n2cnn3 |
