Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1c2ccccc2sc1)Nc3nc4ccc(Cl)cc4s3 |
InChI | InChI | 1.03 | InChI=1S/C15H9ClN2O2S3/c16-9-5-6-11-13(7-9)22-15(17-11)18-23(19,20)14-8-21-12-4-2-1-3-10(12)14/h1-8H,(H,17,18) |
InChIKey | InChI | 1.03 | VLGMTYRMKMVUHJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2nc(N[S](=O)(=O)c3csc4ccccc34)sc2c1 |
SMILES | CACTVS | 3.385 | Clc1ccc2nc(N[S](=O)(=O)c3csc4ccccc34)sc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl |