| PDB CCD ID: | WL0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H12 N2 O3 S4 |
| InChI: | InChI=1S/C11H12N2O3S4/c14-20(15,16)8-4-7-18-10-12-13(11(17)19-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15,16) |
| InChIKey: | RPZFQBBXJDLRSJ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O[S](=O)(=O)CCCSC1=NN(C(=S)S1)c2ccccc2 | | ACDLabs 12.01 | S=C1SC(=NN1c1ccccc1)SCCCS(=O)(=O)O | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)N2C(=S)SC(=N2)SCCCS(=O)(=O)O |
|
| Name: | 3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid |
| ZINC: | ZINC000003033033 |
umich.edu