種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(c2cc(c1c(onc1C)C)ccc2C)NC3C=C3 |
InChI | InChI | 1.03 | InChI=1S/C15H16N2O3S/c1-9-4-5-12(15-10(2)16-20-11(15)3)8-14(9)21(18,19)17-13-6-7-13/h4-8,13,17H,1-3H3 |
InChIKey | InChI | 1.03 | JZWYJVCNMUUCMM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3C=C3 |
SMILES | CACTVS | 3.385 | Cc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3C=C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C |