4-[(4E)-5-oxidanylidene-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4E)-5-oxidanylidene-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylene]imidazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-4-[(2-mercaptophenyl)methylidene]-5-oxo-2-phenyl-1-imidazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-5-keto-4-(2-mercaptobenzylidene)-2-phenyl-2-imidazolin-1-yl]besylic acid Formula: C22H16N2O4S2 MolecularWeight: 436.50344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3S)C(=O)N2C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=N/C(=C/C3=CC=CC=C3S)/C(=O)N2C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C22H16N2O4S2/c25-22-19(14-16-8-4-5-9-20(16)29)23-21(15-6-2-1-3-7-15)24(22)17-10-12-18(13-11-17)30(26,27)28/h1-14,29H,(H,26,27,28)/b19-14+