N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(4,6-diphenylpyrimidin-2-yl)thio]acetamide Formula: C24H17BrFN3OS MolecularWeight: 494.378683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=C(C=C(C=C3)Br)F)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=C(C=C(C=C3)Br)F)C4=CC=CC=C4

InChI

InChI=1S/C24H17BrFN3OS/c25-18-11-12-20(19(26)13-18)27-23(30)15-31-24-28-21(16-7-3-1-4-8-16)14-22(29-24)17-9-5-2-6-10-17/h1-14H,15H2,(H,27,30)