N-(4-hydroxyphenyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-hydroxyphenyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-hydroxyphenyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(4-hydroxyphenyl)-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(4-hydroxyphenyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(4-hydroxyphenyl)-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C21H18F3N3O3S MolecularWeight: 449.44613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)NC3=CC=C(C=C3)O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)NC3=CC=C(C=C3)O)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O3S/c1-30-16-8-2-13(3-9-16)17-12-18(21(22,23)24)27-20(26-17)31-11-10-19(29)25-14-4-6-15(28)7-5-14/h2-9,12,28H,10-11H2,1H3,(H,25,29)