種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C14H12N4O4S2/c1-6-12(23-14(17-6)18-7(2)19)8-3-9-5-16-13(20)11(9)10(4-8)24(15,21)22/h3-5H,1-2H3,(H2,15,21,22)(H,17,18,19) |
InChIKey | InChI | 1.03 | LTKQWKJDTSYBED-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1sc(c(C)n1)c2cc3C=NC(=O)c3c(c2)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | CC(=O)Nc1sc(c(C)n1)c2cc3C=NC(=O)c3c(c2)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)N)C(=O)N=C3 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)N)C(=O)N=C3 |