Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c45sc(\C=C\c3cc(C=[C@H]c2sc1ccccc1[n+]2C)ccc3O)[n+](c4cccc5)C |
InChI | InChI | 1.03 | InChI=1S/C26H21N2OS2/c1-27-20-7-3-5-9-23(20)30-25(27)15-12-18-11-14-22(29)19(17-18)13-16-26-28(2)21-8-4-6-10-24(21)31-26/h3-17H,1-2H3/q+1/p+1 |
InChIKey | InChI | 1.03 | ZYZHFHLUSJZEIK-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | C[n+]1c(sc2ccccc12)/C=C/c3ccc(O)c(/C=C/c4sc5ccccc5[n+]4C)c3 |
SMILES | CACTVS | 3.385 | C[n+]1c(sc2ccccc12)C=Cc3ccc(O)c(C=Cc4sc5ccccc5[n+]4C)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[n+]1c2ccccc2sc1/C=C/c3ccc(c(c3)/C=C/c4[n+](c5ccccc5s4)C)O |
SMILES | OpenEye OEToolkits | 2.0.6 | C[n+]1c2ccccc2sc1C=Cc3ccc(c(c3)C=Cc4[n+](c5ccccc5s4)C)O |