Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)(c1ccc(cc1)S(=O)(=O)\N=C2/SC(S(=O)(N)=O)=NN2C)C |
InChI | InChI | 1.03 | InChI=1S/C13H18N4O4S3/c1-13(2,3)9-5-7-10(8-6-9)24(20,21)16-11-17(4)15-12(22-11)23(14,18)19/h5-8H,1-4H3,(H2,14,18,19)/b16-11- |
InChIKey | InChI | 1.03 | NSQKDLKNBCRMRT-WJDWOHSUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1N=C(SC1=N[S](=O)(=O)c2ccc(cc2)C(C)(C)C)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | CN1N=C(SC1=N[S](=O)(=O)c2ccc(cc2)C(C)(C)C)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1ccc(cc1)S(=O)(=O)/N=C\2/N(N=C(S2)S(=O)(=O)N)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1ccc(cc1)S(=O)(=O)N=C2N(N=C(S2)S(=O)(=O)N)C |