N-(3-imidazol-1-ylpropyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C21H22F3N5O2S MolecularWeight: 465.49189

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)NCCCN3C=CN=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)NCCCN3C=CN=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N5O2S/c1-31-16-5-3-15(4-6-16)17-13-18(21(22,23)24)28-20(27-17)32-12-7-19(30)26-8-2-10-29-11-9-25-14-29/h3-6,9,11,13-14H,2,7-8,10,12H2,1H3,(H,26,30)