N-[3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylpropyl]-2-fluoranyl-5-nitro-benzamide

Systemtic Name: N-[3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylpropyl]-2-fluoranyl-5-nitro-benzamide Openeye Name: N-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]propyl]-2-fluoro-5-nitro-benzamide CAS Name: N-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]propyl]-2-fluoro-5-nitrobenzamide IUPAC Name: N-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylpropyl]-2-fluoro-5-nitrobenzamide Traditional Name: N-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]propyl]-2-fluoro-5-nitro-benzamide Formula: C16H12ClF4N3O3S MolecularWeight: 437.796393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCSC2=C(C=C(C=N2)C(F)(F)F)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCSC2=C(C=C(C=N2)C(F)(F)F)Cl)F

InChI

InChI=1S/C16H12ClF4N3O3S/c17-12-6-9(16(19,20)21)8-23-15(12)28-5-1-4-22-14(25)11-7-10(24(26)27)2-3-13(11)18/h2-3,6-8H,1,4-5H2,(H,22,25)