| PDB CCD ID: | LD2 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H15 N5 O2 S |
| InChI: | InChI=1S/C18H15N5O2S/c24-17-10-25-16-7-6-13(9-15(16)20-17)14(8-12-4-2-1-3-5-12)22-23-11-19-21-18(23)26/h1-7,9,11H,8,10H2,(H,20,24)(H,21,26)/b22-14+ |
| InChIKey: | VWKIYKOULJUXRZ-HYARGMPZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | Sc1nncn1/N=C(Cc2ccccc2)/c3ccc4OCC(=O)Nc4c3 | | CACTVS 3.370 | Sc1nncn1N=C(Cc2ccccc2)c3ccc4OCC(=O)Nc4c3 | | OpenEye OEToolkits 1.7.2 | c1ccc(cc1)C/C(=N\n2cnnc2S)/c3ccc4c(c3)NC(=O)CO4 | | OpenEye OEToolkits 1.7.2 | c1ccc(cc1)CC(=Nn2cnnc2S)c3ccc4c(c3)NC(=O)CO4 | | ACDLabs 12.01 | O=C1Nc4c(OC1)ccc(\C(=N\n2cnnc2S)Cc3ccccc3)c4 |
|
| Name: | 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one;
6-[(1E)-N-(3-mercapto-4H-1,2,4-triazolo-4-yl)-2-phenylethanimidoyl]-2H-1,4-benzooxazin-3(4H)-one |
| ZINC: | ZINC000098209104 |
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