2-[[1-(4-iodophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[1-(4-iodophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[1-(4-iodophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-(4-iodophenyl)-4-(2-oxo-1-benzopyran-3-yl)-2-imidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-(4-iodophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[1-(4-iodophenyl)-4-(2-ketochromen-3-yl)imidazol-2-yl]thio]methyl]benzoic acid Formula: C26H17IN2O4S MolecularWeight: 580.39365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCC4=CC=CC=C4C(=O)O)C5=CC=C(C=C5)I

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCC4=CC=CC=C4C(=O)O)C5=CC=C(C=C5)I

InChI

InChI=1S/C26H17IN2O4S/c27-18-9-11-19(12-10-18)29-14-22(21-13-16-5-2-4-8-23(16)33-25(21)32)28-26(29)34-15-17-6-1-3-7-20(17)24(30)31/h1-14H,15H2,(H,30,31)