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

Systemtic Name: (2S)-N-(3-imidazol-1-ylpropyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(3-imidazol-1-ylpropyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-[3-(1-imidazolyl)propyl]-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: (2S)-N-(3-imidazol-1-ylpropyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(3-imidazol-1-ylpropyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C20H20F3N5OS MolecularWeight: 435.46591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1C=CN=C1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCCCN1C=CN=C1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H20F3N5OS/c1-14(18(29)25-8-5-10-28-11-9-24-13-28)30-19-26-16(15-6-3-2-4-7-15)12-17(27-19)20(21,22)23/h2-4,6-7,9,11-14H,5,8,10H2,1H3,(H,25,29)/t14-/m0/s1