種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c3c2c(c1c(SC)scc1CC2)nc(SCC(C(C)(C)C)=O)n3 |
InChI | InChI | 1.03 | InChI=1S/C17H20N2OS3/c1-17(2,3)12(20)9-23-16-18-7-10-5-6-11-8-22-15(21-4)13(11)14(10)19-16/h7-8H,5-6,9H2,1-4H3 |
InChIKey | InChI | 1.03 | ZVUPMFXOKKTVQT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CSc1scc2CCc3cnc(SCC(=O)C(C)(C)C)nc3c12 |
SMILES | CACTVS | 3.385 | CSc1scc2CCc3cnc(SCC(=O)C(C)(C)C)nc3c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C(=O)CSc1ncc2c(n1)-c3c(csc3SC)CC2 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C(=O)CSc1ncc2c(n1)-c3c(csc3SC)CC2 |