PDB CCD ID: | ZVV |
Number of entries in BioLiP: | 2 |
Chemical formula: | C22 H23 F3 N4 O2 S |
InChI: | InChI=1S/C22H23F3N4O2S/c1-14-8-4-7-11-18(14)31-12-13-32-21-28-27-19(29(21)3)15(2)26-20(30)16-9-5-6-10-17(16)22(23,24)25/h4-11,15H,12-13H2,1-3H3,(H,26,30)/t15-/m0/s1 |
InChIKey: | AERPCBWEQRGXHO-HNNXBMFYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | C[CH](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc3ccccc3C)n2C | OpenEye OEToolkits 1.9.2 | Cc1ccccc1OCCSc2nnc(n2C)C(C)NC(=O)c3ccccc3C(F)(F)F | ACDLabs 12.01 | FC(F)(F)c1ccccc1C(=O)NC(c3nnc(SCCOc2ccccc2C)n3C)C | OpenEye OEToolkits 1.9.2 | Cc1ccccc1OCCSc2nnc(n2C)[C@H](C)NC(=O)c3ccccc3C(F)(F)F | CACTVS 3.385 | C[C@H](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc3ccccc3C)n2C |
|
Name: | N-[1-(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide |
ZINC: | ZINC000095921162 |