Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(NC(=[N@H])N)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)N[S](=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1 |
SMILES | CACTVS | 3.341 | NC(=N)N[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccccc23)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=CNc3ccc(cc3)S(=O)(=O)NC(=N)N)C(=O)N2 |
InChI | InChI | 1.03 | InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9- |
InChIKey | InChI | 1.03 | DMCRNUMVSATRTP-LCYFTJDESA-N |