4-(2-fluoranylphenoxy)-6-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine

Systemtic Name: 4-(2-fluoranylphenoxy)-6-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Openeye Name: 4-(2-fluorophenoxy)-6-isopropyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine CAS Name: 4-(2-fluorophenoxy)-6-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylthio]pyrimidine IUPAC Name: 4-(2-fluorophenoxy)-6-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Traditional Name: 4-(2-fluorophenoxy)-6-isopropyl-2-[[3-(trifluoromethyl)benzyl]thio]pyrimidine Formula: C21H18F4N2OS MolecularWeight: 422.439033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC(=CC=C2)C(F)(F)F)OC3=CC=CC=C3F

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC(=CC=C2)C(F)(F)F)OC3=CC=CC=C3F

InChI

InChI=1S/C21H18F4N2OS/c1-13(2)17-11-19(28-18-9-4-3-8-16(18)22)27-20(26-17)29-12-14-6-5-7-15(10-14)21(23,24)25/h3-11,13H,12H2,1-2H3