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

Systemtic Name: N-(4-cyanophenyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-cyanophenyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(4-cyanophenyl)-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(4-cyanophenyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(4-cyanophenyl)-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C22H17F3N4O2S MolecularWeight: 458.45619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17F3N4O2S/c1-31-17-8-4-15(5-9-17)18-12-19(22(23,24)25)29-21(28-18)32-11-10-20(30)27-16-6-2-14(13-26)3-7-16/h2-9,12H,10-11H2,1H3,(H,27,30)