(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C16H14BrF3N2OS MolecularWeight: 419.25937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC=C(C=C2)C(F)(F)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NC=C(C=C2)C(F)(F)F)Br

InChI

InChI=1S/C16H14BrF3N2OS/c1-9-3-5-13(12(17)7-9)22-15(23)10(2)24-14-6-4-11(8-21-14)16(18,19)20/h3-8,10H,1-2H3,(H,22,23)/t10-/m0/s1