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

Systemtic Name: (5E)-3-heptyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-heptyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-heptyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-heptyl-5-[[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-heptyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C32H39N3O2S2 MolecularWeight: 561.80096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCCCCCC)C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCCCN1C(=O)/C(=C\C2=CN(N=C2C3=CC=C(C=C3)OCCCCCC)C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C32H39N3O2S2/c1-3-5-7-9-13-21-34-31(36)29(39-32(34)38)23-26-24-35(27-15-11-10-12-16-27)33-30(26)25-17-19-28(20-18-25)37-22-14-8-6-4-2/h10-12,15-20,23-24H,3-9,13-14,21-22H2,1-2H3/b29-23+