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

Systemtic Name: 1-adamantyl-[3-azanyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone Openeye Name: 1-adamantyl-[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone CAS Name: 1-adamantyl-[3-amino-6-phenyl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]methanone IUPAC Name: 1-adamantyl-[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone Traditional Name: 1-adamantyl-[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone Formula: C25H23F3N2OS MolecularWeight: 456.52313

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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=CC=C6)N

Isomeric SMILES

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

InChI

InChI=1S/C25H23F3N2OS/c26-25(27,28)17-9-18(16-4-2-1-3-5-16)30-23-19(17)20(29)21(32-23)22(31)24-10-13-6-14(11-24)8-15(7-13)12-24/h1-5,9,13-15H,6-8,10-12,29H2