| PDB CCD ID: | 1MK |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C22 H23 Cl F N2 Os S |
| InChI: | InChI=1S/C12H9FN2S.C10H14.ClH.Os/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11;1-8(2)10-6-4-9(3)5-7-10;;/h1-8H,(H,15,16);4-8H,1-3H3;1H;/q;;;+1/p-1 |
| InChIKey: | BSRBCHDQAAJOCM-UHFFFAOYSA-M |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | CC(C)C12=CC=C([Os]1([N]3=C(C=CC=C3)C(=S)Nc4ccc(cc4)F)Cl)(C=C2)C | | CACTVS 3.370 | CC(C)c12|[Os](Cl)(|n3ccccc3C(=S)Nc4ccc(F)cc4)|c(C)(cc1)cc2 | | ACDLabs 12.01 | Fc1ccc(cc1)NC(=S)c2n(cccc2)[Os]4(Cl)C=3(C=CC4(=CC=3)C(C)C)C |
|
| Name: | chlorido(eta-6-p-cymene)(N-fluorophenyl-2-pyridinecarbothioamide)osmium(II) |
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