PDB CCD ID: | ZVS |
Number of entries in BioLiP: | 1 |
Chemical formula: | C21 H20 F4 N4 O2 S |
InChI: | InChI=1S/C21H20F4N4O2S/c1-13(26-19(30)16-5-3-4-6-17(16)21(23,24)25)18-27-28-20(29(18)2)32-12-11-31-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,26,30)/t13-/m0/s1 |
InChIKey: | MFAPRDBSWRWQBP-ZDUSSCGKSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | C[CH](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc3ccc(F)cc3)n2C | CACTVS 3.385 | C[C@H](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc3ccc(F)cc3)n2C | OpenEye OEToolkits 1.9.2 | C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F | ACDLabs 12.01 | FC(F)(F)c1ccccc1C(=O)NC(c3nnc(SCCOc2ccc(F)cc2)n3C)C | OpenEye OEToolkits 1.9.2 | CC(c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F |
|
Name: | N-[1-(5-{[2-(4-FLUOROPHENOXY)ETHYL]SULFANYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE |
ZINC: | ZINC000015001346 |