N-(2-pyridin-4-ylethyl)-4-(sulfanylidenemethylidene)-6-(trifluoromethyl)-1H-quinoline-3-carboxamide

Systemtic Name: N-(2-pyridin-4-ylethyl)-4-(sulfanylidenemethylidene)-6-(trifluoromethyl)-1H-quinoline-3-carboxamide Openeye Name: N-[2-(4-pyridyl)ethyl]-4-(thioxomethylene)-6-(trifluoromethyl)-1H-quinoline-3-carboxamide CAS Name: N-(2-pyridin-4-ylethyl)-4-(sulfanylidenemethylidene)-6-(trifluoromethyl)-1H-quinoline-3-carboxamide IUPAC Name: N-(2-pyridin-4-ylethyl)-4-(sulfanylidenemethylidene)-6-(trifluoromethyl)-1H-quinoline-3-carboxamide Traditional Name: N-[2-(4-pyridyl)ethyl]-4-(thioxomethylene)-6-(trifluoromethyl)-1H-quinoline-3-carboxamide Formula: C19H14F3N3OS MolecularWeight: 389.39417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)C(=C=S)C(=CN2)C(=O)NCCC3=CC=NC=C3

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=C=S)C(=CN2)C(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C19H14F3N3OS/c20-19(21,22)13-1-2-17-14(9-13)16(11-27)15(10-25-17)18(26)24-8-5-12-3-6-23-7-4-12/h1-4,6-7,9-10,25H,5,8H2,(H,24,26)