N-(3,4-dimethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dimethylphenyl)-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:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C

InChI

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