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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-piperonyl-2-thioxo-thiazolidin-4-one Formula: C27H18N4O5S2 MolecularWeight: 542.58562

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C(=CC4=CN(N=C4C5=CC(=CC=C5)[N+](=O)[O-])C6=CC=CC=C6)SC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C(=CC4=CN(N=C4C5=CC(=CC=C5)[N+](=O)[O-])C6=CC=CC=C6)SC3=S

InChI

InChI=1S/C27H18N4O5S2/c32-26-24(38-27(37)29(26)14-17-9-10-22-23(11-17)36-16-35-22)13-19-15-30(20-6-2-1-3-7-20)28-25(19)18-5-4-8-21(12-18)31(33)34/h1-13,15H,14,16H2