4K3
Summary
| Name: | N-phenyl-3-sulfanylpropanamide |
| Formula: | C9 H11 N O S |
| Formal charge: | 0 |
| Formula weight: | 181.255 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-phenyl-3-sulfanylpropanamide |
| OpenEye OEToolkits | 1.9.2 | N-phenyl-3-sulfanyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1)NC(CCS)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H11NOS/c11-9(6-7-12)10-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11) |
| InChIKey | InChI | 1.03 | YSPHRFZMBKXSAX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCCC(=O)Nc1ccccc1 |
| SMILES | CACTVS | 3.385 | SCCC(=O)Nc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)NC(=O)CCS |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)NC(=O)CCS |
