NT9
Summary
| Name: | ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine |
| Formula: | C12 H13 N S |
| Formal charge: | 0 |
| Formula weight: | 203.303 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H13NS/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3 |
| InChIKey | InChI | 1.06 | DRDAOZOONYPMPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccc(cc1)c2sccc2 |
| SMILES | CACTVS | 3.385 | CNCc1ccc(cc1)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCc1ccc(cc1)c2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCc1ccc(cc1)c2cccs2 |
