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

Systemtic Name: (5E)-3-butan-2-yl-5-[[3-(3-fluoranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-sec-butyl-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-butan-2-yl-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-butan-2-yl-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-[[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-sec-butyl-2-thioxo-thiazolidin-4-one Formula: C26H26FN3O2S2 MolecularWeight: 495.631943

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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)C(C)CC)C4=CC=CC=C4)F

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)C(C)CC)C4=CC=CC=C4)F

InChI

InChI=1S/C26H26FN3O2S2/c1-4-13-32-22-12-11-18(14-21(22)27)24-19(16-29(28-24)20-9-7-6-8-10-20)15-23-25(31)30(17(3)5-2)26(33)34-23/h6-12,14-17H,4-5,13H2,1-3H3/b23-15+