(2S)-N-butyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-butyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-butyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-butyl-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: (2S)-N-butyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-butyl-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C18H20F3N3OS MolecularWeight: 383.43111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)SC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)[C@H](C)SC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C18H20F3N3OS/c1-3-4-10-22-16(25)12(2)26-17-23-14(13-8-6-5-7-9-13)11-15(24-17)18(19,20)21/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,25)/t12-/m0/s1