(5E)-5-[[3-(4-ethoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-5-[[3-(4-ethoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[3-(4-ethoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(p-tolylmethyl)-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-5-[[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-[[3-(4-ethoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(4-methylbenzyl)-2-thioxo-thiazolidin-4-one Formula: C29H24FN3O2S2 MolecularWeight: 529.648163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C)C5=CC=CC=C5)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C)C5=CC=CC=C5)F

InChI

InChI=1S/C29H24FN3O2S2/c1-3-35-25-14-13-21(15-24(25)30)27-22(18-33(31-27)23-7-5-4-6-8-23)16-26-28(34)32(29(36)37-26)17-20-11-9-19(2)10-12-20/h4-16,18H,3,17H2,1-2H3/b26-16+