Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(=O)Nc1ccc(cc1)c1csc(Nc2ccccc2)n1 |
InChI | InChI | 1.03 | InChI=1S/C17H15N3OS/c1-12(21)18-15-9-7-13(8-10-15)16-11-22-17(20-16)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,21)(H,19,20) |
InChIKey | InChI | 1.03 | YGMJBEOTQXTTRR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3)n2 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3 |