2,2,2-tris(fluoranyl)-N-[4-(5-methylsulfanylpentylamino)quinolin-3-yl]ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-[4-(5-methylsulfanylpentylamino)quinolin-3-yl]ethanamide Openeye Name: 2,2,2-trifluoro-N-[4-(5-methylsulfanylpentylamino)-3-quinolyl]acetamide CAS Name: 2,2,2-trifluoro-N-[4-[5-(methylthio)pentylamino]-3-quinolinyl]acetamide IUPAC Name: 2,2,2-trifluoro-N-[4-(5-methylsulfanylpentylamino)quinolin-3-yl]acetamide Traditional Name: 2,2,2-trifluoro-N-[4-[5-(methylthio)pentylamino]-3-quinolyl]acetamide Formula: C17H20F3N3OS MolecularWeight: 371.42041

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCNC1=C(C=NC2=CC=CC=C21)NC(=O)C(F)(F)F

Isomeric SMILES

CSCCCCCNC1=C(C=NC2=CC=CC=C21)NC(=O)C(F)(F)F

InChI

InChI=1S/C17H20F3N3OS/c1-25-10-6-2-5-9-21-15-12-7-3-4-8-13(12)22-11-14(15)23-16(24)17(18,19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,21,22)(H,23,24)