2-(4-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]butanamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-[2-(trifluoromethyl)phenyl]butanamide IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-[2-(trifluoromethyl)phenyl]butyramide Formula: C21H19F3N2OS MolecularWeight: 404.44857

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C21H19F3N2OS/c1-3-18(20(27)26-17-11-7-5-9-15(17)21(22,23)24)28-19-12-13(2)14-8-4-6-10-16(14)25-19/h4-12,18H,3H2,1-2H3,(H,26,27)