4-ethyl-6-(4-propan-2-ylphenoxy)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine

Systemtic Name: 4-ethyl-6-(4-propan-2-ylphenoxy)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Openeye Name: 4-ethyl-6-(4-isopropylphenoxy)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine CAS Name: 4-ethyl-6-(4-propan-2-ylphenoxy)-2-[[4-(trifluoromethyl)phenyl]methylthio]pyrimidine IUPAC Name: 4-ethyl-6-(4-propan-2-ylphenoxy)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Traditional Name: 4-ethyl-6-(4-isopropylphenoxy)-2-[[4-(trifluoromethyl)benzyl]thio]pyrimidine Formula: C23H23F3N2OS MolecularWeight: 432.50173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(F)(F)F)OC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(F)(F)F)OC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H23F3N2OS/c1-4-19-13-21(29-20-11-7-17(8-12-20)15(2)3)28-22(27-19)30-14-16-5-9-18(10-6-16)23(24,25)26/h5-13,15H,4,14H2,1-3H3