AC1LW8J0
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00664199|(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one|(5Z)-5-[(2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE|(Z)-5-(benzo[d][1,3]dioxol-5-ylmethylene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxothiazolidin-4-one|5-(1,3-benzodioxol-5-ylmethylene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C22H17N3O4S2 |
|---|---|
| Molecular Weight | 451.06604 g/mol |
| LogP | 3.61892 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.06604 |
| Monoisotopic Mass | 451.06604 |
| Heavy Atoms | 31 |
| Complexity | 1324.5143 |
Chemical Identifiers
| CAS Number | 97016-14-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/SC3=S |
Product Overview
AC1LW8J0 (CAS 97016-14-3), with molecular formula C22H17N3O4S2 and molecular weight 451.06604 g/mol. IUPAC: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.
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