0W1
Summary
| Name: | 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid |
| Formula: | C8 H8 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 196.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1sc2c(c1)c(nn2C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H8N2O2S/c1-4-5-3-6(8(11)12)13-7(5)10(2)9-4/h3H,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.03 | QRANSYHQSVJLHX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cn1nc(C)c2cc(sc12)C(O)=O |
| SMILES | CACTVS | 3.370 | Cn1nc(C)c2cc(sc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c2cc(sc2n(n1)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c2cc(sc2n(n1)C)C(=O)O |
