A1JCK
Summary
| Name: | ~{N}-naphthalen-2-yl-2-sulfanyl-ethanamide |
| Synonyms: | SGMHGVVTMOGJMX-UHFFFAOYSA-N |
| Formula: | C12 H11 N O S |
| Formal charge: | 0 |
| Formula weight: | 217.287 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-naphthalen-2-yl-2-sulfanyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14) |
| InChIKey | InChI | 1.06 | SGMHGVVTMOGJMX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCC(=O)Nc1ccc2ccccc2c1 |
| SMILES | CACTVS | 3.385 | SCC(=O)Nc1ccc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)NC(=O)CS |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)NC(=O)CS |
