(5E)-3-(oxolan-2-ylmethyl)-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-3-(oxolan-2-ylmethyl)-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-(2-oxolanylmethyl)-5-[[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-(oxolan-2-ylmethyl)-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]-3-(tetrahydrofurfuryl)-2-thioxo-thiazolidin-4-one Formula: C27H27N3O3S2 MolecularWeight: 505.65158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3S2/c1-2-14-32-22-12-10-19(11-13-22)25-20(17-30(28-25)21-7-4-3-5-8-21)16-24-26(31)29(27(34)35-24)18-23-9-6-15-33-23/h3-5,7-8,10-13,16-17,23H,2,6,9,14-15,18H2,1H3/b24-16+