N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C21H18ClF3N2OS MolecularWeight: 438.89363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClF3N2OS/c1-3-18(29-19-10-12(2)14-6-4-5-7-16(14)26-19)20(28)27-17-11-13(21(23,24)25)8-9-15(17)22/h4-11,18H,3H2,1-2H3,(H,27,28)