N-(2-chloranylpyridin-3-yl)-4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide Openeye Name: N-(2-chloro-3-pyridyl)-4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide CAS Name: N-(2-chloro-3-pyridinyl)-4-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanamide IUPAC Name: N-(2-chloropyridin-3-yl)-4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide Traditional Name: N-(2-chloro-3-pyridyl)-4-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]butyramide Formula: C20H16ClF3N4OS MolecularWeight: 452.88045

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCCC(=O)NC3=C(N=CC=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCCC(=O)NC3=C(N=CC=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H16ClF3N4OS/c21-18-14(8-4-10-25-18)26-17(29)9-5-11-30-19-27-15(13-6-2-1-3-7-13)12-16(28-19)20(22,23)24/h1-4,6-8,10,12H,5,9,11H2,(H,26,29)