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

Systemtic Name: (5E)-3-cyclohexyl-5-[[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-cyclohexyl-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-cyclohexyl-5-[[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-cyclohexyl-5-[[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-[[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-cyclohexyl-2-thioxo-thiazolidin-4-one Formula: C29H29N3O2S2 MolecularWeight: 515.68946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2S2/c1-3-16-34-24-14-15-25(20(2)17-24)27-21(19-31(30-27)22-10-6-4-7-11-22)18-26-28(33)32(29(35)36-26)23-12-8-5-9-13-23/h3-4,6-7,10-11,14-15,17-19,23H,1,5,8-9,12-13,16H2,2H3/b26-18+