2-chloranyl-N-[5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

Systemtic Name: 2-chloranyl-N-[5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide Openeye Name: 2-chloro-N-[5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzamide CAS Name: 2-chloro-N-[5-[[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzamide IUPAC Name: 2-chloro-N-[5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide Traditional Name: 2-chloro-N-[4-keto-5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]benzamide Formula: C27H18ClN5O5S2 MolecularWeight: 592.04532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)NC(=O)C4=CC=CC=C4Cl)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)NC(=O)C4=CC=CC=C4Cl)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H18ClN5O5S2/c1-38-22-12-11-16(13-21(22)33(36)37)24-17(15-31(29-24)18-7-3-2-4-8-18)14-23-26(35)32(27(39)40-23)30-25(34)19-9-5-6-10-20(19)28/h2-15H,1H3,(H,30,34)