N-[3-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropyl]-3-phenyl-propanamide

Systemtic Name: N-[3-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropyl]-3-phenyl-propanamide Openeye Name: N-[3-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropyl]-3-phenyl-propanamide CAS Name: N-[3-[[4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propyl]-3-phenylpropanamide IUPAC Name: N-[3-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropyl]-3-phenylpropanamide Traditional Name: N-[3-[[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propyl]-3-phenyl-propionamide Formula: C21H26F3N3OS MolecularWeight: 425.51085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCCCNC(=O)CCC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCCCNC(=O)CCC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C21H26F3N3OS/c1-20(2,3)16-14-17(21(22,23)24)27-19(26-16)29-13-7-12-25-18(28)11-10-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,25,28)