A1I3L
Summary
| Name: | 4-pyridin-3-yl-3~{H}-1,3-thiazol-2-one |
| Formula: | C8 H6 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 178.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-pyridin-3-yl-3~{H}-1,3-thiazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H6N2OS/c11-8-10-7(5-12-8)6-2-1-3-9-4-6/h1-5H,(H,10,11) |
| InChIKey | InChI | 1.06 | LMYBMQXKKKIWQE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=CS1)c2cccnc2 |
| SMILES | CACTVS | 3.385 | O=C1NC(=CS1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C2=CSC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C2=CSC(=O)N2 |
