| PDB CCD ID: | BY1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H9 N O2 S |
| InChI: | InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3 |
| InChIKey: | DOEWDSDBFRHVAP-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | Cc1ccc(cc1)S(=O)(=O)C=CC#N | | CACTVS 3.385 | Cc1ccc(cc1)[S](=O)(=O)C=CC#N | | OpenEye OEToolkits 1.7.6 | Cc1ccc(cc1)S(=O)(=O)/C=C/C#N | | CACTVS 3.385 | Cc1ccc(cc1)[S](=O)(=O)/C=C/C#N | | ACDLabs 12.01 | O=S(=O)(\C=C\C#N)c1ccc(cc1)C |
|
| Name: | 3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile;
BAY 11-7082 |
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