2PV
Summary
| Name: | (5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one |
| Formula: | C10 H9 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 219.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H9N3OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-5H,11H2,(H2,12,13,14)/b8-5+ |
| InChIKey | InChI | 1.03 | QXOIZYPBCJHYLN-VMPITWQZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)\C=C/2SC(=N)NC/2=O |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)C=C2SC(=N)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)N)/S1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=C2C(=O)NC(=N)S2)N |
