8N5
Summary
| Name: | 2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one |
| Formula: | C10 H8 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 204.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2OS/c13-10-9-8(11-12-10)7-4-2-1-3-6(7)5-14-9/h1-4H,5H2,(H2,11,12,13) |
| InChIKey | InChI | 1.03 | BFCDYINZMSUEHZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NNC2=C1SCc3ccccc23 |
| SMILES | CACTVS | 3.385 | O=C1NNC2=C1SCc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CSC3=C2NNC3=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CSC3=C2NNC3=O |
