5GC
Summary
| Name: | 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine |
| Formula: | C7 H13 N3 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 235.327 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine |
| OpenEye OEToolkits | 1.9.2 | 5-methylsulfanyl-4-propan-2-ylsulfonyl-1H-pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(c(c(SC)nn1)S(=O)(=O)C(C)C)N |
| InChI | InChI | 1.03 | InChI=1S/C7H13N3O2S2/c1-4(2)14(11,12)5-6(8)9-10-7(5)13-3/h4H,1-3H3,(H3,8,9,10) |
| InChIKey | InChI | 1.03 | SEBINQGTUBTFET-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1[nH]nc(N)c1[S](=O)(=O)C(C)C |
| SMILES | CACTVS | 3.385 | CSc1[nH]nc(N)c1[S](=O)(=O)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)S(=O)(=O)c1c(n[nH]c1SC)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)S(=O)(=O)c1c(n[nH]c1SC)N |
