N-[2-(4-methylphenyl)ethyl]-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)ethyl]-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-[2-(p-tolyl)ethyl]-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-[2-(4-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)ethyl]-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide Traditional Name: N-[2-(p-tolyl)ethyl]-2-[[2-(trifluoromethyl)phenyl]thio]cinchoninamide Formula: C26H21F3N2OS MolecularWeight: 466.51795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C26H21F3N2OS/c1-17-10-12-18(13-11-17)14-15-30-25(32)20-16-24(31-22-8-4-2-6-19(20)22)33-23-9-5-3-7-21(23)26(27,28)29/h2-13,16H,14-15H2,1H3,(H,30,32)