6DQ
Summary
| Name: | 2-pyridin-3-yl-1,3-benzothiazin-4-one |
| Formula: | C13 H8 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 240.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-pyridin-3-yl-1,3-benzothiazin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H8N2OS/c16-12-10-5-1-2-6-11(10)17-13(15-12)9-4-3-7-14-8-9/h1-8H |
| InChIKey | InChI | 1.03 | PKPRJBMZCMHZGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N=C(Sc2ccccc12)c3cccnc3 |
| SMILES | CACTVS | 3.385 | O=C1N=C(Sc2ccccc12)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3 |
