3-phenylsulfanyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]prop-2-enamide

Systemtic Name: 3-phenylsulfanyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]prop-2-enamide Openeye Name: 3-phenylsulfanyl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]prop-2-enamide CAS Name: 3-(phenylthio)-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]-2-propenamide IUPAC Name: 3-phenylsulfanyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]prop-2-enamide Traditional Name: 3-(phenylthio)-N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]acrylamide Formula: C21H17F3N2OS2 MolecularWeight: 434.49769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC=CC(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC=CC(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C21H17F3N2OS2/c22-21(23,24)19-14-18(16-8-4-5-9-17(16)26-19)29-13-11-25-20(27)10-12-28-15-6-2-1-3-7-15/h1-10,12,14H,11,13H2,(H,25,27)