N-(1-adamantyl)-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C18H20ClF3N2OS MolecularWeight: 404.87741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C18H20ClF3N2OS/c19-14-4-13(18(20,21)22)8-23-16(14)26-9-15(25)24-17-5-10-1-11(6-17)3-12(2-10)7-17/h4,8,10-12H,1-3,5-7,9H2,(H,24,25)