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

Systemtic Name: 1-adamantyl-[3-azanyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone Openeye Name: 1-adamantyl-[3-amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone CAS Name: 1-adamantyl-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]methanone IUPAC Name: 1-adamantyl-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone Traditional Name: 1-adamantyl-[3-amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone Formula: C23H21F3N2OS2 MolecularWeight: 462.55085

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C5=C(S4)N=C(C=C5C(F)(F)F)C6=CC=CS6)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C5=C(S4)N=C(C=C5C(F)(F)F)C6=CC=CS6)N

InChI

InChI=1S/C23H21F3N2OS2/c24-23(25,26)14-7-15(16-2-1-3-30-16)28-21-17(14)18(27)19(31-21)20(29)22-8-11-4-12(9-22)6-13(5-11)10-22/h1-3,7,11-13H,4-6,8-10,27H2