N-phenethyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-phenethyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-phenethyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-phenethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-phenethyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-phenethyl-2-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C17H17F3N2OS MolecularWeight: 354.38989

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H17F3N2OS/c1-12(16(23)21-10-9-13-5-3-2-4-6-13)24-15-8-7-14(11-22-15)17(18,19)20/h2-8,11-12H,9-10H2,1H3,(H,21,23)