90G
Summary
| Name: | N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide |
| Formula: | C11 H10 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 267.735 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-(4-chlorophenyl)-1~{H}-pyrazol-5-yl]-2-sulfanyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CS)Nc1cc(nn1)c2ccc(cc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C11H10ClN3OS/c12-8-3-1-7(2-4-8)9-5-10(15-14-9)13-11(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16) |
| InChIKey | InChI | 1.03 | JALQHWDJULITDF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCC(=O)Nc1[nH]nc(c1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | SCC(=O)Nc1[nH]nc(c1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc([nH]n2)NC(=O)CS)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc([nH]n2)NC(=O)CS)Cl |
