5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: 5-[[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)S3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)S3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S2/c1-2-3-4-8-15-30-21-13-11-18(12-14-21)23-19(16-22-24(29)26-25(31)32-22)17-28(27-23)20-9-6-5-7-10-20/h5-7,9-14,16-17H,2-4,8,15H2,1H3,(H,26,29,31)