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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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