Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C4c5c3c(Sc2c1ccccc1ccc2)cccc3nc5N=C(N)N4 |
InChI | InChI | 1.03 | InChI=1S/C20H14N4OS/c21-20-23-18-17(19(25)24-20)16-13(22-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H4,21,22,23,24,25) |
InChIKey | InChI | 1.03 | NSASWBYEPOLHJW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2[nH]c3cccc(Sc4cccc5ccccc45)c3c2C(=O)N1 |
SMILES | CACTVS | 3.385 | NC1=Nc2[nH]c3cccc(Sc4cccc5ccccc45)c3c2C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N |