YCZ
Summary
| Name: | ~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-3-propylsulfanyl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Formula: | C13 H13 F3 N8 O S |
| Formal charge: | 0 |
| Formula weight: | 386.356 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-3-propylsulfanyl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H13F3N8OS/c1-3-6-26-12-20-18-9-7(4-5-8(24(9)12)13(14,15)16)10(25)17-11-19-21-22-23(11)2/h4-5H,3,6H2,1-2H3,(H,17,19,22,25) |
| InChIKey | InChI | 1.06 | CNBLWFHDVMAYDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCSc1nnc2n1c(ccc2C(=O)Nc3nnnn3C)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCCSc1nnc2n1c(ccc2C(=O)Nc3nnnn3C)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCSc1nnc2n1c(ccc2C(=O)Nc3nnnn3C)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCSc1nnc2n1c(ccc2C(=O)Nc3nnnn3C)C(F)(F)F |
