4GG
Summary
| Name: | 2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide |
| Formula: | C15 H19 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 289.396 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide |
| OpenEye OEToolkits | 1.9.2 | 2-ethylsulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CSCC)N(C)Cc1cn(nc1)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H19N3OS/c1-3-20-12-15(19)17(2)10-13-9-16-18(11-13)14-7-5-4-6-8-14/h4-9,11H,3,10,12H2,1-2H3 |
| InChIKey | InChI | 1.03 | PWEWVWHEVCEXNS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2 |
