N-(2-ethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(2-ethylphenyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(2-ethylphenyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C21H18F3N3OS MolecularWeight: 417.44733

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H18F3N3OS/c1-2-14-8-6-7-11-16(14)25-19(28)13-29-20-26-17(15-9-4-3-5-10-15)12-18(27-20)21(22,23)24/h3-12H,2,13H2,1H3,(H,25,28)