6-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C16H10ClF3N2O3S MolecularWeight: 402.77541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClF3N2O3S/c17-10-4-9(16(18,19)20)5-21-15(10)26-7-12(23)8-1-2-13-11(3-8)22-14(24)6-25-13/h1-5H,6-7H2,(H,22,24)