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

Systemtic Name: (5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-3-octyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylidene]-3-octyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-3-octyl-2-thioxo-thiazolidin-4-one Formula: C29H29N3O2S2 MolecularWeight: 515.68946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)SC1=S

Isomeric SMILES

CCCCCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)/SC1=S

InChI

InChI=1S/C29H29N3O2S2/c1-2-3-4-5-6-12-17-31-28(33)26(36-29(31)35)19-22-20-32(23-14-8-7-9-15-23)30-27(22)25-18-21-13-10-11-16-24(21)34-25/h7-11,13-16,18-20H,2-6,12,17H2,1H3/b26-19-