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

Systemtic Name: (5E)-5-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-3-heptyl-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylidene]-3-heptyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-3-heptyl-2-thioxo-thiazolidin-4-one Formula: C28H27N3O2S2 MolecularWeight: 501.66288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)SC1=S

Isomeric SMILES

CCCCCCCN1C(=O)/C(=C\C2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)/SC1=S

InChI

InChI=1S/C28H27N3O2S2/c1-2-3-4-5-11-16-30-27(32)25(35-28(30)34)18-21-19-31(22-13-7-6-8-14-22)29-26(21)24-17-20-12-9-10-15-23(20)33-24/h6-10,12-15,17-19H,2-5,11,16H2,1H3/b25-18+