W0R
Summary
| Name: | 3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide |
| Formula: | C12 H18 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 238.349 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | 3-(2-methylpropylsulfanyl)-~{N}-pyridin-3-yl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cccnc1)CCSCC(C)C |
| InChI | InChI | 1.06 | InChI=1S/C12H18N2OS/c1-10(2)9-16-7-5-12(15)14-11-4-3-6-13-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.06 | ATVMGBCJNMLOMO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CSCCC(=O)Nc1cccnc1 |
| SMILES | CACTVS | 3.385 | CC(C)CSCCC(=O)Nc1cccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CSCCC(=O)Nc1cccnc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CSCCC(=O)Nc1cccnc1 |
