6JJ
Summary
| Name: | 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Formula: | C15 H10 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 294.331 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| OpenEye OEToolkits | 2.0.4 | 6-(2-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccccc1Oc2ccccc2c4sc3n(cnn3)n4 |
| InChI | InChI | 1.03 | InChI=1S/C15H10N4OS/c1-2-6-11(7-3-1)20-13-9-5-4-8-12(13)14-18-19-10-16-17-15(19)21-14/h1-10H |
| InChIKey | InChI | 1.03 | KCOSAQLZHSXLNP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O(c1ccccc1)c2ccccc2c3sc4nncn4n3 |
| SMILES | CACTVS | 3.385 | O(c1ccccc1)c2ccccc2c3sc4nncn4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)Oc2ccccc2c3nn4cnnc4s3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)Oc2ccccc2c3nn4cnnc4s3 |
