N-(4-bromophenyl)-3-(4,6-diphenylpyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-bromophenyl)-3-(4,6-diphenylpyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-bromophenyl)-3-(4,6-diphenylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(4-bromophenyl)-3-[(4,6-diphenyl-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-(4,6-diphenylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(4-bromophenyl)-3-[(4,6-diphenylpyrimidin-2-yl)thio]propionamide Formula: C25H20BrN3OS MolecularWeight: 490.4148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20BrN3OS/c26-20-11-13-21(14-12-20)27-24(30)15-16-31-25-28-22(18-7-3-1-4-8-18)17-23(29-25)19-9-5-2-6-10-19/h1-14,17H,15-16H2,(H,27,30)