Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H15N3OS2/c1-22(6-7-23)19-10-18-17(25-19)9-16(24-18)8-15(12-21)14-4-2-13(11-20)3-5-14/h2-5,8-10,23H,6-7H2,1H3/b15-8+ |
InChIKey | InChI | 1.03 | RIGJCKIIBUZTCX-OVCLIPMQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(CCO)c1sc2cc(sc2c1)\C=C(/C#N)c3ccc(cc3)C#N |
SMILES | CACTVS | 3.385 | CN(CCO)c1sc2cc(sc2c1)C=C(C#N)c3ccc(cc3)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCO)c1cc2c(s1)cc(s2)/C=C(\C#N)/c3ccc(cc3)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCO)c1cc2c(s1)cc(s2)C=C(C#N)c3ccc(cc3)C#N |