Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3c4c2c(Sc1ccccc1)cccc2nc4N=C(N)N3 |
InChI | InChI | 1.03 | InChI=1S/C16H12N4OS/c17-16-19-14-13(15(21)20-16)12-10(18-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H4,17,18,19,20,21) |
InChIKey | InChI | 1.03 | RURPYDOTPJEGPP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NC1=Nc2[nH]c3cccc(Sc4ccccc4)c3c2C(=O)N1 |
SMILES | CACTVS | 3.370 | NC1=Nc2[nH]c3cccc(Sc4ccccc4)c3c2C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N |