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

Systemtic Name: (2S)-N-(1-adamantyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C24H26F3N3OS MolecularWeight: 461.54295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC(=CC(=N4)C(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC(=CC(=N4)C(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C24H26F3N3OS/c1-14(21(31)30-23-11-15-7-16(12-23)9-17(8-15)13-23)32-22-28-19(18-5-3-2-4-6-18)10-20(29-22)24(25,26)27/h2-6,10,14-17H,7-9,11-13H2,1H3,(H,30,31)/t14-,15?,16?,17?,23?/m0/s1