N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butyramide Formula: C22H19ClF3N3OS MolecularWeight: 465.91897

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H19ClF3N3OS/c1-3-19(21(30)29-18-11-15(22(24,25)26)9-10-16(18)23)31-20-12-17(27-13(2)28-20)14-7-5-4-6-8-14/h4-12,19H,3H2,1-2H3,(H,29,30)