42W
Summary
| Name: | (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one |
| Synonyms: | 1-benzyl-5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one |
| Formula: | C17 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 325.385 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-benzyl-5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one |
| OpenEye OEToolkits | 2.0.4 | 5-[(1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-1-(phenylmethyl)pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=2C(N(Cc1ccccc1)C=C(C=2)\C=C3\NC(N(C)C3=O)=S)=O |
| InChI | InChI | 1.03 | InChI=1S/C17H15N3O2S/c1-19-16(22)14(18-17(19)23)9-13-7-8-15(21)20(11-13)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,18,23)/b14-9+ |
| InChIKey | InChI | 1.03 | ORESZEYKAHLKRD-NTEUORMPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=S)N/C(=C/C2=CN(Cc3ccccc3)C(=O)C=C2)C1=O |
| SMILES | CACTVS | 3.385 | CN1C(=S)NC(=CC2=CN(Cc3ccccc3)C(=O)C=C2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S |
