1-ethyl-N-(2-pyridin-4-ylethyl)-4-sulfanylidene-6-(trifluoromethyl)quinoline-3-carboxamide

Systemtic Name: 1-ethyl-N-(2-pyridin-4-ylethyl)-4-sulfanylidene-6-(trifluoromethyl)quinoline-3-carboxamide Openeye Name: 1-ethyl-N-[2-(4-pyridyl)ethyl]-4-thioxo-6-(trifluoromethyl)quinoline-3-carboxamide CAS Name: 1-ethyl-N-(2-pyridin-4-ylethyl)-4-sulfanylidene-6-(trifluoromethyl)-3-quinolinecarboxamide IUPAC Name: 1-ethyl-N-(2-pyridin-4-ylethyl)-4-sulfanylidene-6-(trifluoromethyl)quinoline-3-carboxamide Traditional Name: 1-ethyl-N-[2-(4-pyridyl)ethyl]-4-thioxo-6-(trifluoromethyl)quinoline-3-carboxamide Formula: C20H18F3N3OS MolecularWeight: 405.43663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=S)C2=C1C=CC(=C2)C(F)(F)F)C(=O)NCCC3=CC=NC=C3

Isomeric SMILES

CCN1C=C(C(=S)C2=C1C=CC(=C2)C(F)(F)F)C(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C20H18F3N3OS/c1-2-26-12-16(19(27)25-10-7-13-5-8-24-9-6-13)18(28)15-11-14(20(21,22)23)3-4-17(15)26/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,25,27)