(2S)-2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(2-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-pyridinylmethyl)-3-[[3-(trifluoromethyl)phenyl]thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(2-pyridylmethyl)-3-[[3-(trifluoromethyl)phenyl]thio]propionamide Formula: C18H18F3N3O2S MolecularWeight: 397.41463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)C(F)(F)F)C(=O)NCC2=CC=CC=N2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)C(F)(F)F)C(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C18H18F3N3O2S/c1-12(25)24-16(17(26)23-10-14-6-2-3-8-22-14)11-27-15-7-4-5-13(9-15)18(19,20)21/h2-9,16H,10-11H2,1H3,(H,23,26)(H,24,25)/t16-/m1/s1