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

Systemtic Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-hexyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one Formula: C31H37N3O2S2 MolecularWeight: 547.77438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCCCCCC)C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCCN1C(=O)/C(=C\C2=CN(N=C2C3=CC=C(C=C3)OCCCCCC)C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C31H37N3O2S2/c1-3-5-7-12-20-33-30(35)28(38-31(33)37)22-25-23-34(26-14-10-9-11-15-26)32-29(25)24-16-18-27(19-17-24)36-21-13-8-6-4-2/h9-11,14-19,22-23H,3-8,12-13,20-21H2,1-2H3/b28-22+