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Summary
| Name: | 5-({[(2P)-4-chloro-2-(2-methoxypyridin-3-yl)-5-methylphenyl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Formula: | C17 H17 Cl N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 360.795 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-({[(2P)-4-chloro-2-(2-methoxypyridin-3-yl)-5-methylphenyl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| OpenEye OEToolkits | 2.0.7 | 3-[[4-chloranyl-2-(2-methoxypyridin-3-yl)-5-methyl-phenoxy]methyl]-4-methyl-1~{H}-1,2,4-triazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ncccc1c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C |
| InChI | InChI | 1.06 | InChI=1S/C17H17ClN4O3/c1-10-7-14(25-9-15-20-21-17(23)22(15)2)12(8-13(10)18)11-5-4-6-19-16(11)24-3/h4-8H,9H2,1-3H3,(H,21,23) |
| InChIKey | InChI | 1.06 | VRWZUAIGDKFRPU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncccc1c2cc(Cl)c(C)cc2OCC3=NNC(=O)N3C |
| SMILES | CACTVS | 3.385 | COc1ncccc1c2cc(Cl)c(C)cc2OCC3=NNC(=O)N3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Cl)c2cccnc2OC)OCC3=NNC(=O)N3C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Cl)c2cccnc2OC)OCC3=NNC(=O)N3C |
