HVZ
Summary
| Name: | ~{N}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide |
| Formula: | C14 H17 Cl N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 356.828 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H17ClN4O3S/c1-14(2,23(21)22)13(20)16-7-12-9-19(18-17-12)8-10-3-5-11(15)6-4-10/h3-6,9,23H,7-8H2,1-2H3,(H,16,20) |
| InChIKey | InChI | 1.03 | WWIJWVXKLYGOJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1)[SH](=O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1)[SH](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Cl)S(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Cl)S(=O)=O |
