Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(ccc2ncccc12)c4c(c3cc(Cl)ccc3)nc(N)s4 |
InChI | InChI | 1.03 | InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22) |
InChIKey | InChI | 1.03 | JVXFJMXCRSAZFH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc(c2ccc3ncccc3n2)c(n1)c4cccc(Cl)c4 |
SMILES | CACTVS | 3.385 | Nc1sc(c2ccc3ncccc3n2)c(n1)c4cccc(Cl)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4 |