Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N)c2ccc(Nc1ncc(s1)C(C)C)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1sc(Nc2ccc(cc2)[S](N)(=O)=O)nc1 |
SMILES | CACTVS | 3.341 | CC(C)c1sc(Nc2ccc(cc2)[S](N)(=O)=O)nc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)c1cnc(s1)Nc2ccc(cc2)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)c1cnc(s1)Nc2ccc(cc2)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C12H15N3O2S2/c1-8(2)11-7-14-12(18-11)15-9-3-5-10(6-4-9)19(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17) |
InChIKey | InChI | 1.03 | LPQUJAANWFHCJV-UHFFFAOYSA-N |