N-(1-adamantyl)-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(1-adamantyl)-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(1-adamantyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(1-adamantyl)-2-(2,2,2-trifluoroethylthio)-3-pyridinecarboxamide IUPAC Name: N-(1-adamantyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(1-adamantyl)-2-(2,2,2-trifluoroethylthio)nicotinamide Formula: C18H21F3N2OS MolecularWeight: 370.43235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(N=CC=C4)SCC(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(N=CC=C4)SCC(F)(F)F

InChI

InChI=1S/C18H21F3N2OS/c19-18(20,21)10-25-16-14(2-1-3-22-16)15(24)23-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13H,4-10H2,(H,23,24)