6-[(5E)-5-[[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: 6-[(5E)-5-[[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: 6-[(5E)-5-[[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5E)-5-[[3-(3-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoate IUPAC Name: 6-[(5E)-5-[[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5E)-4-keto-5-[(3-m-phenetyl-1-phenyl-pyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]hexanoate Formula: C27H26N3O4S2- MolecularWeight: 520.64304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CCCCCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S2/c1-2-34-22-13-9-10-19(16-22)25-20(18-30(28-25)21-11-5-3-6-12-21)17-23-26(33)29(27(35)36-23)15-8-4-7-14-24(31)32/h3,5-6,9-13,16-18H,2,4,7-8,14-15H2,1H3,(H,31,32)/p-1/b23-17+