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

Systemtic Name: (5E)-3-hexyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-hexyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-hexyl-5-[[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-hexyl-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-hexyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCCN1C(=O)/C(=C\C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C25H24N4O3S2/c1-2-3-4-8-15-27-24(30)22(34-25(27)33)16-19-17-28(20-9-6-5-7-10-20)26-23(19)18-11-13-21(14-12-18)29(31)32/h5-7,9-14,16-17H,2-4,8,15H2,1H3/b22-16+