JR6
Summary
| Name: | 2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide |
| Formula: | C16 H19 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 317.406 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19N3O2S/c1-19-16(13-4-3-5-14(13)18-19)17-15(20)10-22-12-8-6-11(21-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,17,20) |
| InChIKey | InChI | 1.03 | HLIFAMDWHQBTKJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(SCC(=O)Nc2n(C)nc3CCCc23)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(SCC(=O)Nc2n(C)nc3CCCc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c(c2c(n1)CCC2)NC(=O)CSc3ccc(cc3)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c(c2c(n1)CCC2)NC(=O)CSc3ccc(cc3)OC |
