Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C17H12N6OS/c18-7-12-15(10-1-3-11(24)4-2-10)13(8-19)17(23-16(12)20)25-9-14-21-5-6-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22) |
InChIKey | InChI | 1.06 | OFHKDLYFKPBXER-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(SCc2[nH]ccn2)c(C#N)c(c3ccc(O)cc3)c1C#N |
SMILES | CACTVS | 3.385 | Nc1nc(SCc2[nH]ccn2)c(C#N)c(c3ccc(O)cc3)c1C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(c(nc(c2C#N)SCc3[nH]ccn3)N)C#N)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(c(nc(c2C#N)SCc3[nH]ccn3)N)C#N)O |