Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccccc1)CNC(=O)Nc2ccc3nnsc3c2 |
InChI | InChI | 1.03 | InChI=1S/C15H12N4O2S/c20-13(10-4-2-1-3-5-10)9-16-15(21)17-11-6-7-12-14(8-11)22-19-18-12/h1-8H,9H2,(H2,16,17,21) |
InChIKey | InChI | 1.03 | PKHSKYFMULMNOC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(NCC(=O)c1ccccc1)Nc2ccc3nnsc3c2 |
SMILES | CACTVS | 3.370 | O=C(NCC(=O)c1ccccc1)Nc2ccc3nnsc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3 |