| PDB CCD ID: | X0Q |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H9 N5 O2 S2 |
| InChI: | InChI=1S/C13H9N5O2S2/c14-7-9-2-1-3-10(6-9)18-8-11(16-17-18)12-4-5-13(21-12)22(15,19)20/h1-6,8H,(H2,15,19,20) |
| InChIKey: | SUOSUWXLPRQCMG-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[S](=O)(=O)c1sc(cc1)c2cn(nn2)c3cccc(c3)C#N | | OpenEye OEToolkits 1.9.2 | c1cc(cc(c1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N)C#N | | ACDLabs 12.01 | O=S(=O)(c3sc(c2nnn(c1cc(C#N)ccc1)c2)cc3)N |
|
| Name: | 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide |
| ChEMBL: | CHEMBL2414070 |
| ZINC: | ZINC000095920717 |
umich.edu