2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-2-phenyl-imidazol-1-yl]naphthalene-1,5-disulfonic acid

Systemtic Name: 2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-2-phenyl-imidazol-1-yl]naphthalene-1,5-disulfonic acid Openeye Name: 2-[(4Z)-4-[(4-methylsulfanylphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]naphthalene-1,5-disulfonic acid CAS Name: 2-[(4Z)-4-[[4-(methylthio)phenyl]methylidene]-5-oxo-2-phenyl-1-imidazolyl]naphthalene-1,5-disulfonic acid IUPAC Name: 2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid Traditional Name: 2-[(4Z)-5-keto-4-[4-(methylthio)benzylidene]-2-phenyl-2-imidazolin-1-yl]naphthalene-1,5-disulfonic acid Formula: C27H20N2O7S3 MolecularWeight: 580.6519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C27H20N2O7S3/c1-37-19-12-10-17(11-13-19)16-22-27(30)29(26(28-22)18-6-3-2-4-7-18)23-15-14-20-21(25(23)39(34,35)36)8-5-9-24(20)38(31,32)33/h2-16H,1H3,(H,31,32,33)(H,34,35,36)/b22-16-