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

Systemtic Name: 6-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C17H12F3NO3S MolecularWeight: 367.34229

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3NO3S/c18-17(19,20)11-2-1-3-12(7-11)25-9-14(22)10-4-5-15-13(6-10)21-16(23)8-24-15/h1-7H,8-9H2,(H,21,23)