種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC(C)Oc1cc(ncc1C)CSc1nc2ccc3ncsc3c2[NH]1 |
InChI | InChI | 1.03 | InChI=1S/C18H18N4OS2/c1-10(2)23-15-6-12(19-7-11(15)3)8-24-18-21-13-4-5-14-17(16(13)22-18)25-9-20-14/h4-7,9-10H,8H2,1-3H3,(H,21,22) |
InChIKey | InChI | 1.03 | RSRICYKFVYNWJI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1cc(CSc2[nH]c3c(ccc4ncsc34)n2)ncc1C |
SMILES | CACTVS | 3.385 | CC(C)Oc1cc(CSc2[nH]c3c(ccc4ncsc34)n2)ncc1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(cc1OC(C)C)CSc2[nH]c3c(n2)ccc4c3scn4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(cc1OC(C)C)CSc2[nH]c3c(n2)ccc4c3scn4 |