Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1nc(ncc1SC)SCc1n[NH]c2cccc(OCc3ccccc3)c21 |
InChI | InChI | 1.06 | InChI=1S/C20H18N4O2S2/c1-27-17-10-21-20(22-19(17)25)28-12-15-18-14(23-24-15)8-5-9-16(18)26-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,23,24)(H,21,22,25) |
InChIKey | InChI | 1.06 | WPFAYHFCRNQLGD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CSc1cnc(SCc2n[nH]c3cccc(OCc4ccccc4)c23)nc1O |
SMILES | CACTVS | 3.385 | CSc1cnc(SCc2n[nH]c3cccc(OCc4ccccc4)c23)nc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1cnc(nc1O)SCc2c3c(cccc3OCc4ccccc4)[nH]n2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CSc1cnc(nc1O)SCc2c3c(cccc3OCc4ccccc4)[nH]n2 |