Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc4cccc(c1nc3c(SC#N)cnn3c(c1)NCc2ccncc2)c4Cl |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1cccc(c1Cl)c2cc(NCc3ccncc3)n4ncc(SC#N)c4n2 |
SMILES | CACTVS | 3.341 | Clc1cccc(c1Cl)c2cc(NCc3ccncc3)n4ncc(SC#N)c4n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)c(cn3)SC#N)NCc4ccncc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)c(cn3)SC#N)NCc4ccncc4 |
InChI | InChI | 1.03 | InChI=1S/C19H12Cl2N6S/c20-14-3-1-2-13(18(14)21)15-8-17(24-9-12-4-6-23-7-5-12)27-19(26-15)16(10-25-27)28-11-22/h1-8,10,24H,9H2 |
InChIKey | InChI | 1.03 | AHPKUZJCNHGFQA-UHFFFAOYSA-N |