2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethyloxy)phenyl]butanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethyloxy)phenyl]butanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]butanamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-(trifluoromethoxy)phenyl]butanamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]butanamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[4-(trifluoromethoxy)phenyl]butyramide Formula: C17H18F3N3O2S MolecularWeight: 385.40393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)SC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)SC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C17H18F3N3O2S/c1-4-14(26-16-21-10(2)9-11(3)22-16)15(24)23-12-5-7-13(8-6-12)25-17(18,19)20/h5-9,14H,4H2,1-3H3,(H,23,24)