N-(1-adamantyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C21H22F3N3OS MolecularWeight: 421.47909

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC(=NC5=CC=CC=C54)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC(=NC5=CC=CC=C54)C(F)(F)F

InChI

InChI=1S/C21H22F3N3OS/c22-21(23,24)19-25-16-4-2-1-3-15(16)18(26-19)29-11-17(28)27-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H,27,28)