| PDB CCD ID: | W4W |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H18 N2 O S |
| InChI: | InChI=1S/C11H18N2OS/c1-2-10-5-3-4-7-13(10)11(14)9-15-8-6-12/h10H,2-5,7-9H2,1H3/t10-/m0/s1 |
| InChIKey: | OAMONVOBQLFHBS-JTQLQIEISA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC[CH]1CCCCN1C(=O)CSCC#N | CACTVS 3.385
OpenEye OEToolkits 2.0.7 | CC[C@H]1CCCCN1C(=O)CSCC#N | | ACDLabs 12.01 | O=C(CSCC#N)N1CCCCC1CC | | OpenEye OEToolkits 2.0.7 | CCC1CCCCN1C(=O)CSCC#N |
|
| Name: | ({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile |
| ZINC: | ZINC000058393654 |
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