Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c1ccccc1sc2n3c(O)c(c(n3)C)C4OC(=O)c5c4cccc5 |
InChI | InChI | 1.03 | InChI=1S/C19H15N3O3S/c1-10-15(16-11-6-2-3-7-12(11)18(24)25-16)17(23)22(21-10)19-20-13-8-4-5-9-14(13)26-19/h2-9,16,20,23,26H,1H3/t16-/m1/s1 |
InChIKey | InChI | 1.03 | LVLUTBWXLVGTPI-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nn(c(O)c1[C@@H]2OC(=O)c3ccccc23)C4=[SH]c5ccccc5N4 |
SMILES | CACTVS | 3.385 | Cc1nn(c(O)c1[CH]2OC(=O)c3ccccc23)C4=[SH]c5ccccc5N4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n(n1)C2=Sc3ccccc3N2)O)[C@H]4c5ccccc5C(=O)O4 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n(n1)C2=Sc3ccccc3N2)O)C4c5ccccc5C(=O)O4 |