2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(2,3,4-trifluorophenyl)acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(2,3,4-trifluorophenyl)acetamide Formula: C20H18F3N3O2S MolecularWeight: 421.43603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C20H18F3N3O2S/c1-2-3-10-26-19(28)12-6-4-5-7-14(12)25-20(26)29-11-16(27)24-15-9-8-13(21)17(22)18(15)23/h4-9H,2-3,10-11H2,1H3,(H,24,27)