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

Systemtic Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-propyl-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-propyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-propyl-2-thioxo-thiazolidin-4-one Formula: C28H31N3O2S2 MolecularWeight: 505.69464

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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)CCC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O2S2/c1-3-5-6-10-18-33-24-15-13-21(14-16-24)26-22(20-31(29-26)23-11-8-7-9-12-23)19-25-27(32)30(17-4-2)28(34)35-25/h7-9,11-16,19-20H,3-6,10,17-18H2,1-2H3/b25-19+