1-adamantyl-[3-azanyl-6-tert-butyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone

Systemtic Name: 1-adamantyl-[3-azanyl-6-tert-butyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone Openeye Name: 1-adamantyl-[3-amino-6-tert-butyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone CAS Name: 1-adamantyl-[3-amino-6-tert-butyl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]methanone IUPAC Name: 1-adamantyl-[3-amino-6-tert-butyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone Traditional Name: 1-adamantyl-[3-amino-6-tert-butyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone Formula: C23H27F3N2OS MolecularWeight: 436.53349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=C1)C(F)(F)F)C(=C(S2)C(=O)C34CC5CC(C3)CC(C5)C4)N

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=C1)C(F)(F)F)C(=C(S2)C(=O)C34CC5CC(C3)CC(C5)C4)N

InChI

InChI=1S/C23H27F3N2OS/c1-21(2,3)15-7-14(23(24,25)26)16-17(27)18(30-20(16)28-15)19(29)22-8-11-4-12(9-22)6-13(5-11)10-22/h7,11-13H,4-6,8-10,27H2,1-3H3