Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4c3cc(C(Nc1cccc2nccc12)=O)sc3cc(Br)c4 |
InChI | InChI | 1.03 | InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21) |
InChIKey | InChI | 1.03 | REBSMDZUSJUELV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc2cc(sc2c1)C(=O)Nc3cccc4[nH]ccc34 |
SMILES | CACTVS | 3.385 | Brc1ccc2cc(sc2c1)C(=O)Nc3cccc4[nH]ccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br |