| PDB CCD ID: | 4TR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H13 Br N6 O3 S |
| InChI: | InChI=1S/C16H13BrN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25) |
| InChIKey: | GHDKYBCUDPSXGJ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | N[S](=O)(=O)Oc1ccc(CN(n2cnnc2)c3ccc(cc3)C#N)cc1Br | | ACDLabs 10.04 | O=S(=O)(Oc1ccc(cc1Br)CN(n2cnnc2)c3ccc(C#N)cc3)N | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3 |
|
| Name: | 2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE;
4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE |
| ChEMBL: | CHEMBL108483 |
| DrugBank: | DB04600 |
| ZINC: | ZINC000003991718 |
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