| SpectraBase Compound ID | Bofw6fBH52s |
|---|---|
| InChI | InChI=1S/C15H15BrN2OS/c16-13-6-1-2-7-14(13)18-15(19)11-20-10-8-12-5-3-4-9-17-12/h1-7,9H,8,10-11H2,(H,18,19) |
| InChIKey | UWSXWTCKJWSTJQ-UHFFFAOYSA-N |
| Mol Weight | 351.26 g/mol |
| Molecular Formula | C15H15BrN2OS |
| Exact Mass | 350.008847 g/mol |
| SpectraBase Spectrum ID | 62p74OA4C1k |
|---|---|
| Name | N-(2-Bromophenyl)-2-{[2-(2-pyridinyl)ethyl]sulfanyl}acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.008847284 u |
| Formula | C15H15BrN2OS |
| InChI | InChI=1S/C15H15BrN2OS/c16-13-6-1-2-7-14(13)18-15(19)11-20-10-8-12-5-3-4-9-17-12/h1-7,9H,8,10-11H2,(H,18,19) |
| InChIKey | UWSXWTCKJWSTJQ-UHFFFAOYSA-N |
| Molecular Weight | 351.262 g/mol |
| SMILES | N(C1=C(Br)C=CC=C1)C(=O)CSCCC=1N=CC=CC1 |