5VA
Summary
| Name: | ~{N}-methyl-1-(3-thiophen-3-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 | 2.0.4 | ~{N}-methyl-1-(3-thiophen-3-ylphenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13NS/c1-13-8-10-3-2-4-11(7-10)12-5-6-14-9-12/h2-7,9,13H,8H2,1H3 |
| InChIKey | InChI | 1.03 | SNXSVYZFYWVLHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cccc(c1)c2cscc2 |
| SMILES | CACTVS | 3.385 | CNCc1cccc(c1)c2cscc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CNCc1cccc(c1)c2ccsc2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CNCc1cccc(c1)c2ccsc2 |
