2-pyrrol-1-yl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzamide

Systemtic Name: 2-pyrrol-1-yl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzamide Openeye Name: 2-pyrrol-1-yl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]benzamide CAS Name: 2-(1-pyrrolyl)-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]benzamide IUPAC Name: 2-pyrrol-1-yl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzamide Traditional Name: 2-pyrrol-1-yl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]benzamide Formula: C23H18F3N3OS MolecularWeight: 441.46873

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)SCCNC(=O)C3=CC=CC=C3N4C=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)SCCNC(=O)C3=CC=CC=C3N4C=CC=C4

InChI

InChI=1S/C23H18F3N3OS/c24-23(25,26)21-15-20(16-7-1-3-9-18(16)28-21)31-14-11-27-22(30)17-8-2-4-10-19(17)29-12-5-6-13-29/h1-10,12-13,15H,11,14H2,(H,27,30)