2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide

Systemtic Name: 2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide Openeye Name: 2-(2-quinolylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide CAS Name: 2-(2-quinolinylthio)-N-[3-(trifluoromethyl)phenyl]butanamide IUPAC Name: 2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide Traditional Name: 2-(2-quinolylthio)-N-[3-(trifluoromethyl)phenyl]butyramide Formula: C20H17F3N2OS MolecularWeight: 390.42199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H17F3N2OS/c1-2-17(27-18-11-10-13-6-3-4-9-16(13)25-18)19(26)24-15-8-5-7-14(12-15)20(21,22)23/h3-12,17H,2H2,1H3,(H,24,26)