E9B
Summary
| Name: | S-[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate |
| Formula: | C15 H9 N3 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 359.38 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{S}-[5-[(~{E})-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H9N3O4S2/c19-14(11-7-9-13(23-11)18(20)21)24-15-17-16-12(22-15)8-6-10-4-2-1-3-5-10/h1-9H/b8-6+ |
| InChIKey | InChI | 1.03 | QDBPRPJMSSSIEX-SOFGYWHQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1sc(cc1)C(=O)Sc2oc(\C=C\c3ccccc3)nn2 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1sc(cc1)C(=O)Sc2oc(C=Cc3ccccc3)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)/C=C/c2nnc(o2)SC(=O)c3ccc(s3)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C=Cc2nnc(o2)SC(=O)c3ccc(s3)[N+](=O)[O-] |
