5-fluoranyl-2-[4-isocyano-3-(trifluoromethyl)phenyl]-N-(4-methylsulfanylphenyl)benzamide

Systemtic Name: 5-fluoranyl-2-[4-isocyano-3-(trifluoromethyl)phenyl]-N-(4-methylsulfanylphenyl)benzamide Openeye Name: 5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]-N-(4-methylsulfanylphenyl)benzamide CAS Name: 5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]-N-[4-(methylthio)phenyl]benzamide IUPAC Name: 5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]-N-(4-methylsulfanylphenyl)benzamide Traditional Name: 5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]-N-[4-(methylthio)phenyl]benzamide Formula: C22H14F4N2OS MolecularWeight: 430.417973

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)F)C3=CC(=C(C=C3)[N+]#[C-])C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)F)C3=CC(=C(C=C3)[N+]#[C-])C(F)(F)F

InChI

InChI=1S/C22H14F4N2OS/c1-27-20-10-3-13(11-19(20)22(24,25)26)17-9-4-14(23)12-18(17)21(29)28-15-5-7-16(30-2)8-6-15/h3-12H,2H3,(H,28,29)