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

Systemtic Name: 2-[[1-(4-iodophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[1-(4-iodophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[1-(4-iodophenyl)-4-(2-oxo-1-benzopyran-3-yl)-2-imidazolyl]thio]methyl]benzonitrile IUPAC Name: 2-[[1-(4-iodophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[1-(4-iodophenyl)-4-(2-ketochromen-3-yl)imidazol-2-yl]thio]methyl]benzonitrile Formula: C26H16IN3O2S MolecularWeight: 561.39361

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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#N)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#N)C5=CC=C(C=C5)I

InChI

InChI=1S/C26H16IN3O2S/c27-20-9-11-21(12-10-20)30-15-23(22-13-17-5-3-4-8-24(17)32-25(22)31)29-26(30)33-16-19-7-2-1-6-18(19)14-28/h1-13,15H,16H2