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

Systemtic Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-propanamide Openeye Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-propanamide CAS Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-phenethylpropanamide IUPAC Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenethylpropanamide Traditional Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-phenethyl-propionamide Formula: C23H22F3N3O2S MolecularWeight: 461.49989

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)NCCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)NCCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H22F3N3O2S/c1-31-18-9-7-17(8-10-18)19-15-20(23(24,25)26)29-22(28-19)32-14-12-21(30)27-13-11-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,27,30)