| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=C(Nc1ncc(C#N)cc1)NC3CC3c2c(OC)ccc(C(=O)C)c2O |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(C(C)=O)c(O)c1[C@H]2C[C@H]2NC(=S)Nc3ccc(cn3)C#N |
| SMILES | CACTVS | 3.341 | COc1ccc(C(C)=O)c(O)c1[CH]2C[CH]2NC(=S)Nc3ccc(cn3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)c1ccc(c(c1O)[C@H]2C[C@H]2NC(=S)Nc3ccc(cn3)C#N)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)c1ccc(c(c1O)C2CC2NC(=S)Nc3ccc(cn3)C#N)OC |
| InChI | InChI | 1.03 | InChI=1S/C19H18N4O3S/c1-10(24)12-4-5-15(26-2)17(18(12)25)13-7-14(13)22-19(27)23-16-6-3-11(8-20)9-21-16/h3-6,9,13-14,25H,7H2,1-2H3,(H2,21,22,23,27)/t13-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | FSRLCMRWYUJTNT-UONOGXRCSA-N |
