Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1c(OC)c(C)cnc1CSc1nc2ccc3ncsc3c2[NH]1 |
InChI | InChI | 1.03 | InChI=1S/C17H16N4OS2/c1-9-6-18-13(10(2)15(9)22-3)7-23-17-20-11-4-5-12-16(14(11)21-17)24-8-19-12/h4-6,8H,7H2,1-3H3,(H,20,21) |
InChIKey | InChI | 1.03 | LPMHHSWQQOYDFY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1c(C)cnc(CSc2[nH]c3c4scnc4ccc3n2)c1C |
SMILES | CACTVS | 3.385 | COc1c(C)cnc(CSc2[nH]c3c4scnc4ccc3n2)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c(c1OC)C)CSc2[nH]c3c(n2)ccc4c3scn4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c(c1OC)C)CSc2[nH]c3c(n2)ccc4c3scn4 |