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

Systemtic Name: 6-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C16H12F3N3O3S MolecularWeight: 383.34499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C16H12F3N3O3S/c1-8(26-15-20-5-4-12(22-15)16(17,18)19)14(24)9-2-3-11-10(6-9)21-13(23)7-25-11/h2-6,8H,7H2,1H3,(H,21,23)