2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-2-phenyl-imidazol-1-yl]-4-sulfo-benzoic acid

Systemtic Name: 2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-2-phenyl-imidazol-1-yl]-4-sulfo-benzoic acid Openeye Name: 2-[(4Z)-4-[(4-methylsulfanylphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-4-sulfo-benzoic acid CAS Name: 2-[(4Z)-4-[[4-(methylthio)phenyl]methylidene]-5-oxo-2-phenyl-1-imidazolyl]-4-sulfobenzoic acid IUPAC Name: 2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid Traditional Name: 2-[(4Z)-5-keto-4-[4-(methylthio)benzylidene]-2-phenyl-2-imidazolin-1-yl]-4-sulfo-benzoic acid Formula: C24H18N2O6S2 MolecularWeight: 494.53952

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C24H18N2O6S2/c1-33-17-9-7-15(8-10-17)13-20-23(27)26(22(25-20)16-5-3-2-4-6-16)21-14-18(34(30,31)32)11-12-19(21)24(28)29/h2-14H,1H3,(H,28,29)(H,30,31,32)/b20-13-