N-(1-adamantyl)-N-methyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-N-methyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-N-methyl-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-N-methyl-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-N-methyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-N-methyl-2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C22H24F3N3OS2 MolecularWeight: 467.57067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H24F3N3OS2/c1-28(21-9-13-5-14(10-21)7-15(6-13)11-21)19(29)12-31-20-26-16(17-3-2-4-30-17)8-18(27-20)22(23,24)25/h2-4,8,13-15H,5-7,9-12H2,1H3