N-[2,5-bis(fluoranyl)phenyl]-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[2,5-bis(fluoranyl)phenyl]-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(2,5-difluorophenyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(2,5-difluorophenyl)-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(2,5-difluorophenyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(2,5-difluorophenyl)-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C21H16F5N3O2S MolecularWeight: 469.427656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F5N3O2S/c1-31-14-5-2-12(3-6-14)16-11-18(21(24,25)26)29-20(28-16)32-9-8-19(30)27-17-10-13(22)4-7-15(17)23/h2-7,10-11H,8-9H2,1H3,(H,27,30)