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

Systemtic Name: (5E)-3-ethyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-ethyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-ethyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-ethyl-5-[[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-ethyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CC)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S2/c1-3-5-6-10-17-32-23-15-13-20(14-16-23)25-21(18-24-26(31)29(4-2)27(33)34-24)19-30(28-25)22-11-8-7-9-12-22/h7-9,11-16,18-19H,3-6,10,17H2,1-2H3/b24-18+