1-(1,3-benzodioxol-5-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,6-diphenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,6-diphenylpyrimidin-2-yl)thio]ethanone Formula: C25H18N2O3S MolecularWeight: 426.48702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H18N2O3S/c28-22(19-11-12-23-24(13-19)30-16-29-23)15-31-25-26-20(17-7-3-1-4-8-17)14-21(27-25)18-9-5-2-6-10-18/h1-14H,15-16H2