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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OC2=NC(=NC(=C2)CC)SCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC1=CC(=CC=C1)OC2=NC(=NC(=C2)CC)SCC3=CC=C(C=C3)C(F)(F)F

InChI

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