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

Systemtic Name: (5E)-3-cyclohexyl-5-[[3-(4-ethoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-cyclohexyl-5-[[3-(4-ethoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-cyclohexyl-5-[[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-cyclohexyl-5-[[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-cyclohexyl-5-[[3-(4-ethoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C27H26FN3O2S2 MolecularWeight: 507.642643

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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)C4CCCCC4)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)C4CCCCC4)C5=CC=CC=C5)F

InChI

InChI=1S/C27H26FN3O2S2/c1-2-33-23-14-13-18(15-22(23)28)25-19(17-30(29-25)20-9-5-3-6-10-20)16-24-26(32)31(27(34)35-24)21-11-7-4-8-12-21/h3,5-6,9-10,13-17,21H,2,4,7-8,11-12H2,1H3/b24-16+