種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(CSc1ccc(nn1)c1ccccc1)N(C1CC1)c1nc(C)cs1 |
InChI | InChI | 1.03 | InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3 |
InChIKey | InChI | 1.03 | DPONSKCACOZTGN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1csc(n1)N(C2CC2)C(=O)CSc3ccc(nn3)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cc1csc(n1)N(C2CC2)C(=O)CSc3ccc(nn3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1csc(n1)N(C2CC2)C(=O)CSc3ccc(nn3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1csc(n1)N(C2CC2)C(=O)CSc3ccc(nn3)c4ccccc4 |