| PDB CCD ID: | 42W |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C17 H15 N3 O2 S |
| InChI: | 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: | ORESZEYKAHLKRD-NTEUORMPSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1C(=S)N/C(=C/C2=CN(Cc3ccccc3)C(=O)C=C2)C1=O | | OpenEye OEToolkits 2.0.4 | CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S | | ACDLabs 12.01 | C=2C(N(Cc1ccccc1)C=C(C=2)\C=C3\NC(N(C)C3=O)=S)=O | | CACTVS 3.385 | CN1C(=S)NC(=CC2=CN(Cc3ccccc3)C(=O)C=C2)C1=O |
|
| Name: | (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one;
1-benzyl-5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one |
| ChEMBL: | CHEMBL3605388 |
| ZINC: | ZINC000474609270 |
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