2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-(2,2,2-trifluoroethyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide Traditional Name: 2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]-N-(2,2,2-trifluoroethyl)acetamide Formula: C17H19BrF3N3O2S MolecularWeight: 466.31587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCC(F)(F)F

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCC(F)(F)F

InChI

InChI=1S/C17H19BrF3N3O2S/c1-2-3-4-7-24-15(26)12-8-11(18)5-6-13(12)23-16(24)27-9-14(25)22-10-17(19,20)21/h5-6,8H,2-4,7,9-10H2,1H3,(H,22,25)