| PDB CCD ID: | O9Y |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H14 F N5 O3 S |
| InChI: | InChI=1S/C16H14FN5O3S/c1-11-9-12(22-18-7-8-19-22)10-14(15(11)17)16(23)20-21-26(24,25)13-5-3-2-4-6-13/h2-10,21H,1H3,(H,20,23) |
| InChIKey: | VOTAKFAKQLJZRE-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | c3(S(NNC(c1c(c(C)cc(c1)n2nccn2)F)=O)(=O)=O)ccccc3 | | OpenEye OEToolkits 2.0.7 | Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3 | | CACTVS 3.385 | Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)n3nccn3 |
|
| Name: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide |
| ChEMBL: | CHEMBL4461380 |
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