4V2
Summary
| Name: | 3-(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-PHENOL |
| Formula: | C8 H6 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 194.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenol |
| OpenEye OEToolkits | 1.9.2 | 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Sc1nnc(o1)c2cc(O)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13) |
| InChIKey | InChI | 1.03 | CNOGHDSTUCQSOV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)c2oc(S)nn2 |
| SMILES | CACTVS | 3.385 | Oc1cccc(c1)c2oc(S)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)O)c2nnc(o2)S |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)O)c2nnc(o2)S |
