(E)-2-bromanyl-2-(4-methylsulfanylphenyl)-5-phenyl-1-pyridin-3-yl-pent-4-en-1-one

Systemtic Name: (E)-2-bromanyl-2-(4-methylsulfanylphenyl)-5-phenyl-1-pyridin-3-yl-pent-4-en-1-one Openeye Name: (E)-2-bromo-2-(4-methylsulfanylphenyl)-5-phenyl-1-(3-pyridyl)pent-4-en-1-one CAS Name: (E)-2-bromo-2-[4-(methylthio)phenyl]-5-phenyl-1-(3-pyridinyl)-4-penten-1-one IUPAC Name: (E)-2-bromo-2-(4-methylsulfanylphenyl)-5-phenyl-1-pyridin-3-ylpent-4-en-1-one Traditional Name: (E)-2-bromo-2-[4-(methylthio)phenyl]-5-phenyl-1-(3-pyridyl)pent-4-en-1-one Formula: C23H20BrNOS MolecularWeight: 438.38

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(CC=CC2=CC=CC=C2)(C(=O)C3=CN=CC=C3)Br

Isomeric SMILES

CSC1=CC=C(C=C1)C(C/C=C/C2=CC=CC=C2)(C(=O)C3=CN=CC=C3)Br

InChI

InChI=1S/C23H20BrNOS/c1-27-21-13-11-20(12-14-21)23(24,22(26)19-10-6-16-25-17-19)15-5-9-18-7-3-2-4-8-18/h2-14,16-17H,15H2,1H3/b9-5+