| PDB CCD ID: | KY6 |
| Number of entries in FURNA: | 1 |
| Chemical formula: | C21 H17 N3 O S |
| InChI: | InChI=1S/C21H17N3OS/c1-24(8-9-25)19-7-6-17-10-20(26-21(17)12-19)11-18(14-23)16-4-2-15(13-22)3-5-16/h2-7,10-12,25H,8-9H2,1H3/b18-11+ |
| InChIKey: | WXTHEUULEXARCU-WOJGMQOQSA-N |
| SMILES: | CN(CCO)c1ccc2cc(sc2c1)/C=C(\C#N)/c3ccc(cc3)C#N; OCCN(C)c1ccc2cc(\C=C(/C#N)c3ccc(C#N)cc3)sc2c1; CN(CCO)c1ccc2cc(sc2c1)\C=C(/C#N)c3ccc(cc3)C#N; CN(CCO)c1ccc2cc(sc2c1)C=C(C#N)c3ccc(cc3)C#N |
| Name: | 4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile |
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