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

Systemtic Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)propanamide Openeye Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(tetrahydrofuran-2-ylmethyl)propanamide CAS Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(2-oxolanylmethyl)propanamide IUPAC Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)propanamide Traditional Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(tetrahydrofurfuryl)propionamide Formula: C20H22F3N3O3S MolecularWeight: 441.46719

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)NCC3CCCO3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)NCC3CCCO3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3S/c1-28-14-6-4-13(5-7-14)16-11-17(20(21,22)23)26-19(25-16)30-10-8-18(27)24-12-15-3-2-9-29-15/h4-7,11,15H,2-3,8-10,12H2,1H3,(H,24,27)