| PDB CCD ID: | 2P3 |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C10 H9 N3 O2 S |
| InChI: | InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)/t8-/m1/s1 |
| InChIKey: | WDUGNJIRKJHDNF-MRVPVSSYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | S=C1NN=C(N1)[CH]2COc3ccccc3O2 | | ACDLabs 12.01 | S=C1NN=C(N1)C2Oc3ccccc3OC2 | | OpenEye OEToolkits 1.7.6 | c1ccc2c(c1)OC[C@@H](O2)C3=NNC(=S)N3 | | CACTVS 3.385 | S=C1NN=C(N1)[C@H]2COc3ccccc3O2 | | OpenEye OEToolkits 1.7.6 | c1ccc2c(c1)OCC(O2)C3=NNC(=S)N3 |
|
| Name: | 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| ZINC: | ZINC000013556315 |
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