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

Systemtic Name: 4-[5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[5-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[5-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[5-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[4-keto-5-[3-nitro-4-(2-pyrimidylthio)benzylidene]-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C21H12N4O5S3 MolecularWeight: 496.53878

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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=C3C(=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)