7PI
Summary
| Name: | 1-((5-phenylthiophen-2-yl)sulfonyl)-1H-pyrazole |
| Synonyms: | IMTVC-212 |
| Formula: | C13 H10 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 290.361 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(5-phenylthiophen-2-yl)sulfonylpyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H10N2O2S2/c16-19(17,15-10-4-9-14-15)13-8-7-12(18-13)11-5-2-1-3-6-11/h1-10H |
| InChIKey | InChI | 1.03 | UKYIIJUGJLWBAF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S](=O)(n1cccn1)c2sc(cc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O=[S](=O)(n1cccn1)c2sc(cc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(s2)S(=O)(=O)n3cccn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(s2)S(=O)(=O)n3cccn3 |
