(5E)-5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Systemtic Name: (5E)-5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Openeye Name: (5E)-5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazol-4-olate CAS Name: (5E)-5-[[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazololate IUPAC Name: (5E)-5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Traditional Name: (5E)-5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-3-thiazolin-4-olate Formula: C20H13N4O4S2- MolecularWeight: 437.47162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=NC(=S)S3)[O-])C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/3\C(=NC(=S)S3)[O-])C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S2/c1-28-16-8-7-12(9-15(16)24(26)27)18-13(10-17-19(25)21-20(29)30-17)11-23(22-18)14-5-3-2-4-6-14/h2-11H,1H3,(H,21,25,29)/p-1/b17-10+