LOI
Summary
| Name: | 2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide |
| Formula: | C15 H16 N6 O S2 |
| Formal charge: | 0 |
| Formula weight: | 360.457 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide |
| OpenEye OEToolkits | 1.5.0 | 2-methylamino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1nc(cs1)C)c3cc(Sc2nncn2C)ccc3NC |
| SMILES_CANONICAL | CACTVS | 3.341 | CNc1ccc(Sc2nncn2C)cc1C(=O)Nc3scc(C)n3 |
| SMILES | CACTVS | 3.341 | CNc1ccc(Sc2nncn2C)cc1C(=O)Nc3scc(C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C |
| InChI | InChI | 1.03 | InChI=1S/C15H16N6OS2/c1-9-7-23-14(18-9)19-13(22)11-6-10(4-5-12(11)16-2)24-15-20-17-8-21(15)3/h4-8,16H,1-3H3,(H,18,19,22) |
| InChIKey | InChI | 1.03 | XRJAKERBMMBUGR-UHFFFAOYSA-N |
