種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c3c(Br)sc(C(=O)N(C(c1ccccc1)c2ccccc2)C)c3 |
InChI | InChI | 1.03 | InChI=1S/C19H16BrNOS/c1-21(19(22)16-12-13-17(20)23-16)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3 |
InChIKey | InChI | 1.03 | WORZHUYQQIIZTA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C(c1ccccc1)c2ccccc2)C(=O)c3sc(Br)cc3 |
SMILES | CACTVS | 3.385 | CN(C(c1ccccc1)c2ccccc2)C(=O)c3sc(Br)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3)Br |