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

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide Openeye Name: 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N-(2,2,2-trifluoroethyl)acetamide IUPAC Name: 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]-N-(2,2,2-trifluoroethyl)acetamide Formula: C14H13BrF3N3O2S MolecularWeight: 424.23613

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCC(F)(F)F

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCC(F)(F)F

InChI

InChI=1S/C14H13BrF3N3O2S/c1-2-21-12(23)9-5-8(15)3-4-10(9)20-13(21)24-6-11(22)19-7-14(16,17)18/h3-5H,2,6-7H2,1H3,(H,19,22)