7-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one

Systemtic Name: 7-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one Openeye Name: 7-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-isobenzofuran-1-one CAS Name: 7-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-4,5,6-trimethoxy-3H-isobenzofuran-1-one IUPAC Name: 7-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one Traditional Name: 7-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-4,5,6-trimethoxy-phthalide Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CSC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CSC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5)OC)OC

InChI

InChI=1S/C27H24N2O5S/c1-31-23-18-14-34-26(30)20(18)19(24(32-2)25(23)33-3)15-35-27-28-21(16-10-6-4-7-11-16)22(29-27)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H,28,29)