G5E
Summary
| Name: | 3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazole-5-thione |
| Formula: | C14 H10 F N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 303.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazole-5-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H10FN3O2S/c15-10-3-1-2-4-11(10)18-13(16-17-14(18)21)9-6-5-8(19)7-12(9)20/h1-7,19-20H,(H,17,21) |
| InChIKey | InChI | 1.03 | UAZGBVUYMVWWQS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(c(O)c1)C2=NNC(=S)N2c3ccccc3F |
| SMILES | CACTVS | 3.385 | Oc1ccc(c(O)c1)C2=NNC(=S)N2c3ccccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F |
