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

Systemtic Name: (5E)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-3-(2-oxolanylmethyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(tetrahydrofurfuryl)-2-thioxo-thiazolidin-4-one Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5

Isomeric SMILES

CC(C)COC1=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/C28H29N3O3S2/c1-19(2)18-34-23-12-10-20(11-13-23)26-21(16-31(29-26)22-7-4-3-5-8-22)15-25-27(32)30(28(35)36-25)17-24-9-6-14-33-24/h3-5,7-8,10-13,15-16,19,24H,6,9,14,17-18H2,1-2H3/b25-15+