4-(2,3-dimethylphenoxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine

Systemtic Name: 4-(2,3-dimethylphenoxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Openeye Name: 4-(2,3-dimethylphenoxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine CAS Name: 4-(2,3-dimethylphenoxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylthio]pyrimidine IUPAC Name: 4-(2,3-dimethylphenoxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Traditional Name: 4-(2,3-dimethylphenoxy)-6-ethyl-2-[[4-(trifluoromethyl)benzyl]thio]pyrimidine Formula: C22H21F3N2OS MolecularWeight: 418.47515

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(F)(F)F)OC3=CC=CC(=C3C)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(F)(F)F)OC3=CC=CC(=C3C)C

InChI

InChI=1S/C22H21F3N2OS/c1-4-18-12-20(28-19-7-5-6-14(2)15(19)3)27-21(26-18)29-13-16-8-10-17(11-9-16)22(23,24)25/h5-12H,4,13H2,1-3H3