5-butyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]pyridine-2-carboxamide

Systemtic Name: 5-butyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]pyridine-2-carboxamide Openeye Name: 5-butyl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]pyridine-2-carboxamide CAS Name: 5-butyl-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]-2-pyridinecarboxamide IUPAC Name: 5-butyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]pyridine-2-carboxamide Traditional Name: 5-butyl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]picolinamide Formula: C22H22F3N3OS MolecularWeight: 433.48979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCCCC1=CN=C(C=C1)C(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C22H22F3N3OS/c1-2-3-6-15-9-10-18(27-14-15)21(29)26-11-12-30-19-13-20(22(23,24)25)28-17-8-5-4-7-16(17)19/h4-5,7-10,13-14H,2-3,6,11-12H2,1H3,(H,26,29)