LKX
Summary
| Name: | 2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide |
| Formula: | C10 H9 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 252.657 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-(5-oxidanylidene-1~{H}-1,2,4-triazol-4-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NN=CN1NC(=O)Cc1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C10H9ClN4O2/c11-8-3-1-2-7(4-8)5-9(16)14-15-6-12-13-10(15)17/h1-4,6H,5H2,(H,13,17)(H,14,16) |
| InChIKey | InChI | 1.06 | IADLNEMEFCQDCX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CC(=O)NN2C=NNC2=O)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(CC(=O)NN2C=NNC2=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)NN2C=NNC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)NN2C=NNC2=O |
