1-(1-adamantyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one Openeye Name: 1-(1-adamantyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one CAS Name: 1-(1-adamantyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropan-1-one Traditional Name: 1-(1-adamantyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propan-1-one Formula: C22H23F3N2OS MolecularWeight: 420.49103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC(=NC5=CC=CC=C54)C(F)(F)F

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC(=NC5=CC=CC=C54)C(F)(F)F

InChI

InChI=1S/C22H23F3N2OS/c1-12(18(28)21-9-13-6-14(10-21)8-15(7-13)11-21)29-19-16-4-2-3-5-17(16)26-20(27-19)22(23,24)25/h2-5,12-15H,6-11H2,1H3