N-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-4-(quinolin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-4-(quinolin-2-ylsulfanylmethyl)benzamide Openeye Name: N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(2-quinolylsulfanylmethyl)benzamide CAS Name: N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-[(2-quinolinylthio)methyl]benzamide IUPAC Name: N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(quinolin-2-ylsulfanylmethyl)benzamide Traditional Name: N-[4-fluoro-3-(trifluoromethyl)benzyl]-4-[(2-quinolylthio)methyl]benzamide Formula: C25H18F4N2OS MolecularWeight: 470.481833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=C(C=C3)C(=O)NCC4=CC(=C(C=C4)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=C(C=C3)C(=O)NCC4=CC(=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C25H18F4N2OS/c26-21-11-7-17(13-20(21)25(27,28)29)14-30-24(32)19-8-5-16(6-9-19)15-33-23-12-10-18-3-1-2-4-22(18)31-23/h1-13H,14-15H2,(H,30,32)