42V
Summary
| Name: | 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one |
| Formula: | C10 H9 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 235.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one |
| OpenEye OEToolkits | 1.9.2 | 5-[(E)-(1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-1H-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C2NC(=C\C=1C=CC(=O)NC=1)\C(=O)N2C |
| InChI | InChI | 1.03 | InChI=1S/C10H9N3O2S/c1-13-9(15)7(12-10(13)16)4-6-2-3-8(14)11-5-6/h2-5H,1H3,(H,11,14)(H,12,16)/b7-4+ |
| InChIKey | InChI | 1.03 | IWSWTVREIULVFV-QPJJXVBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=S)NC(=C/C2=CNC(=O)C=C2)/C1=O |
| SMILES | CACTVS | 3.385 | CN1C(=S)NC(=CC2=CNC(=O)C=C2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1C(=O)/C(=C\C2=CNC(=O)C=C2)/NC1=S |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1C(=O)C(=CC2=CNC(=O)C=C2)NC1=S |
