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

Systemtic Name: (5E)-3-cyclohexyl-5-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-cyclohexyl-5-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-cyclohexyl-5-[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-cyclohexyl-5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-cyclohexyl-5-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)OC

InChI

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