| PDB CCD ID: | 4TZ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H14 N6 O3 S |
| InChI: | InChI=1S/C16H14N6O3S/c17-9-13-1-5-15(6-2-13)22(21-11-19-20-12-21)10-14-3-7-16(8-4-14)25-26(18,23)24/h1-8,11-12H,10H2,(H2,18,23,24) |
| InChIKey: | WEXGHQDVDVWOIU-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | N[S](=O)(=O)Oc1ccc(CN(n2cnnc2)c3ccc(cc3)C#N)cc1 | | ACDLabs 10.04 | O=S(=O)(Oc1ccc(cc1)CN(n2cnnc2)c3ccc(C#N)cc3)N | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N |
|
| Name: | 4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE;
4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE |
| ChEMBL: | CHEMBL430879 |
| DrugBank: | DB04601 |
| ZINC: | ZINC000001550080 |
umich.edu