4-[(5Z)-5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate

Systemtic Name: 4-[(5Z)-5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: 4-[(5Z)-5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate CAS Name: 4-[(5Z)-5-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoate IUPAC Name: 4-[(5Z)-5-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Traditional Name: 4-[(5Z)-4-keto-5-[3-nitro-4-(2-pyrimidylthio)benzylidene]-2-thioxo-thiazolidin-3-yl]benzoate Formula: C21H11N4O5S3- MolecularWeight: 495.53084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=CC=C(C=C4)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)C4=CC=C(C=C4)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O5S3/c26-18-17(33-21(31)24(18)14-5-3-13(4-6-14)19(27)28)11-12-2-7-16(15(10-12)25(29)30)32-20-22-8-1-9-23-20/h1-11H,(H,27,28)/p-1/b17-11-