V4X
Summary
| Name: | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile |
| Formula: | C7 H10 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 170.232 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile |
| OpenEye OEToolkits | 2.0.7 | 3-oxidanylidene-3-thiomorpholin-4-yl-propanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CC#N)N1CCSCC1 |
| InChI | InChI | 1.06 | InChI=1S/C7H10N2OS/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2 |
| InChIKey | InChI | 1.06 | ZRIDVVUGSOESLV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CC#N)N1CCSCC1 |
| SMILES | CACTVS | 3.385 | O=C(CC#N)N1CCSCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CSCCN1C(=O)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CSCCN1C(=O)CC#N |
