(5E)-5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-cyclopentyl-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-cyclopentyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-cyclopentyl-2-thioxo-thiazolidin-4-one Formula: C29H31N3O2S2 MolecularWeight: 517.70534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCC4)C5=CC=CC=C5)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)C4CCCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H31N3O2S2/c1-3-4-16-34-25-15-14-21(17-20(25)2)27-22(19-31(30-27)23-10-6-5-7-11-23)18-26-28(33)32(29(35)36-26)24-12-8-9-13-24/h5-7,10-11,14-15,17-19,24H,3-4,8-9,12-13,16H2,1-2H3/b26-18+