N-(1-adamantyl)-2-[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[[3-cyano-6-(4-pyridyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[3-cyano-6-(4-pyridyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C24H23F3N4OS MolecularWeight: 472.52583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C(=CC(=N4)C5=CC=NC=C5)C(F)(F)F)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C(=CC(=N4)C5=CC=NC=C5)C(F)(F)F)C#N

InChI

InChI=1S/C24H23F3N4OS/c25-24(26,27)19-8-20(17-1-3-29-4-2-17)30-22(18(19)12-28)33-13-21(32)31-23-9-14-5-15(10-23)7-16(6-14)11-23/h1-4,8,14-16H,5-7,9-11,13H2,(H,31,32)