Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H17ClN4O2S/c1-14-23-24-19(27-14)12-25(11-16-8-6-15(10-22)7-9-16)20(26)13-28-18-5-3-2-4-17(18)21/h2-9H,11-13H2,1H3 |
InChIKey | InChI | 1.03 | ZOCHVZHQWHVDHH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl)nn1 |
SMILES | CACTVS | 3.385 | Cc1oc(CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl)nn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc(o1)CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc(o1)CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl |