F1G
Summary
| Name: | 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE |
| Formula: | C10 H10 F3 N3 O S2 |
| Formal charge: | 0 |
| Formula weight: | 309.331 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-methyl-N-(2-sulfanylethyl)-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 1-methyl-N-(2-sulfanylethyl)-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(F)c1nn(c2sc(cc12)C(=O)NCCS)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1nc(c2cc(sc12)C(=O)NCCS)C(F)(F)F |
| SMILES | CACTVS | 3.341 | Cn1nc(c2cc(sc12)C(=O)NCCS)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1c2c(cc(s2)C(=O)NCCS)c(n1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1c2c(cc(s2)C(=O)NCCS)c(n1)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C10H10F3N3OS2/c1-16-9-5(7(15-16)10(11,12)13)4-6(19-9)8(17)14-2-3-18/h4,18H,2-3H2,1H3,(H,14,17) |
| InChIKey | InChI | 1.03 | HDKGQVZBBSICLG-UHFFFAOYSA-N |
