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

Systemtic Name: (5E)-3-cyclohexyl-5-[[3-(3-fluoranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-cyclohexyl-5-[[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-cyclohexyl-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-cyclohexyl-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-cyclohexyl-5-[[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C28H28FN3O2S2 MolecularWeight: 521.669223

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)F

Isomeric SMILES

CCCOC1=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/C28H28FN3O2S2/c1-2-15-34-24-14-13-19(16-23(24)29)26-20(18-31(30-26)21-9-5-3-6-10-21)17-25-27(33)32(28(35)36-25)22-11-7-4-8-12-22/h3,5-6,9-10,13-14,16-18,22H,2,4,7-8,11-12,15H2,1H3/b25-17+