Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CSc4nnc(c2sc1ccccc1c2Cl)n4c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C18H12ClN3O2S2/c19-15-12-8-4-5-9-13(12)26-16(15)17-20-21-18(25-10-14(23)24)22(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,23,24) |
InChIKey | InChI | 1.03 | GNEUDTMFXMASKC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CSc1nnc(n1c2ccccc2)c3sc4ccccc4c3Cl |
SMILES | CACTVS | 3.370 | OC(=O)CSc1nnc(n1c2ccccc2)c3sc4ccccc4c3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl |