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

Systemtic Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide Openeye Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide CAS Name: 2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-N-[2-(trifluoromethyl)phenyl]butanamide IUPAC Name: 2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide Traditional Name: 2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]-N-[2-(trifluoromethyl)phenyl]butyramide Formula: C22H20F3N3OS MolecularWeight: 431.47391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H20F3N3OS/c1-3-19(21(29)28-17-12-8-7-11-16(17)22(23,24)25)30-20-13-18(26-14(2)27-20)15-9-5-4-6-10-15/h4-13,19H,3H2,1-2H3,(H,28,29)