Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H15N5S2/c20-9-14-3-6-15(7-4-14)23-18(25)21-10-17-11-22-19-24(17)16(12-26-19)8-5-13-1-2-13/h3-4,6-7,11-13H,1-2,10H2,(H2,21,23,25) |
InChIKey | InChI | 1.03 | OROIVWMQNZZDMT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | S=C(NCc1cnc2scc(C#CC3CC3)n12)Nc4ccc(cc4)C#N |
SMILES | CACTVS | 3.385 | S=C(NCc1cnc2scc(C#CC3CC3)n12)Nc4ccc(cc4)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C#N)NC(=S)NCc2cnc3n2c(cs3)C#CC4CC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C#N)NC(=S)NCc2cnc3n2c(cs3)C#CC4CC4 |