Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(NC)Cc1ccc(cc1)N/N=C2\C(=O)Nc4c2c3scnc3cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | CN[S](=O)(=O)Cc1ccc(N\N=C2/C(=O)Nc3ccc4ncsc4c23)cc1 |
SMILES | CACTVS | 3.341 | CN[S](=O)(=O)Cc1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O |
InChI | InChI | 1.03 | InChI=1S/C17H15N5O3S2/c1-18-27(24,25)8-10-2-4-11(5-3-10)21-22-15-14-12(20-17(15)23)6-7-13-16(14)26-9-19-13/h2-7,9,18,21H,8H2,1H3,(H,20,22,23) |
InChIKey | InChI | 1.03 | GEWPSTLKJDIUHW-UHFFFAOYSA-N |