6-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C19H12F3N3O3S MolecularWeight: 419.37709

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C19H12F3N3O3S/c20-19(21,22)18-24-12-4-2-1-3-11(12)17(25-18)29-9-14(26)10-5-6-15-13(7-10)23-16(27)8-28-15/h1-7H,8-9H2,(H,23,27)