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

Systemtic Name: 6-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C15H10F3N3O3S MolecularWeight: 369.31841

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C15H10F3N3O3S/c16-15(17,18)12-3-4-19-14(21-12)25-7-10(22)8-1-2-11-9(5-8)20-13(23)6-24-11/h1-5H,6-7H2,(H,20,23)