(5E)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-[(4-hexoxy-3-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-[(4-hexoxy-3-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-[(4-hexoxy-3-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-[(4-hexoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-hexoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-(4-hexoxy-3-methoxy-benzylidene)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-thioxo-thiazolidin-4-one Formula: C28H31N3O4S2 MolecularWeight: 537.69344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)OC

InChI

InChI=1S/C28H31N3O4S2/c1-5-6-7-11-16-35-22-15-14-20(17-23(22)34-4)18-24-26(32)30(28(36)37-24)25-19(2)29(3)31(27(25)33)21-12-9-8-10-13-21/h8-10,12-15,17-18H,5-7,11,16H2,1-4H3/b24-18+