| MolName | (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one |
| MolecularFormula | C25H16N3OClS2 |
| Smiles | O=C(N(C1=S)c2ccccc2)S/C1=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C25H16ClN3OS2/c26-19-13-11-17(12-14-19)23-18(16-28(27-23)20-7-3-1-4-8-20)15-22-24(31)29(25(30)32-22)21-9-5-2-6-10-21/h1-16H |
| InChIK | RPZNYTGGSPSZFU-UHFFFAOYSA-N |
| TotalMolweight | 474.007 |
| Molweight | 474.007 |
| MonoisotopicMass | 473.042329 |
| CLogP | 4.9819 |
| CLogS | -7.818 |
| H Acceptors | 4 |
| TotalSurfaceArea | 345.38 |
| Relative PSA | 0.2314 |
| PolarSurfaceArea | 95.52 |
| Druglikeness | 4.5364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one | 2 - (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one