N-(6-methylpyridin-2-yl)-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enamide

Systemtic Name: N-(6-methylpyridin-2-yl)-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enamide Openeye Name: N-(6-methyl-2-pyridyl)-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enamide CAS Name: 2-[4-mercapto-3-(trifluoromethyl)phenyl]-N-(6-methyl-2-pyridinyl)-2-propenamide IUPAC Name: N-(6-methylpyridin-2-yl)-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enamide Traditional Name: 2-[4-mercapto-3-(trifluoromethyl)phenyl]-N-(6-methyl-2-pyridyl)acrylamide Formula: C16H13F3N2OS MolecularWeight: 338.34743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C(=C)C2=CC(=C(C=C2)S)C(F)(F)F

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)C(=C)C2=CC(=C(C=C2)S)C(F)(F)F

InChI

InChI=1S/C16H13F3N2OS/c1-9-4-3-5-14(20-9)21-15(22)10(2)11-6-7-13(23)12(8-11)16(17,18)19/h3-8,23H,2H2,1H3,(H,20,21,22)