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

Systemtic Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-pentyl-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-pentyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-5-[[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-amyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C30H35N3O2S2 MolecularWeight: 533.7478

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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)CCCCC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O2S2/c1-3-5-7-12-20-35-26-17-15-23(16-18-26)28-24(22-33(31-28)25-13-9-8-10-14-25)21-27-29(34)32(30(36)37-27)19-11-6-4-2/h8-10,13-18,21-22H,3-7,11-12,19-20H2,1-2H3/b27-21+