4-(4-chloranyl-3-methyl-phenoxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine CAS Name: 4-(4-chloro-3-methylphenoxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylthio]pyrimidine IUPAC Name: 4-(4-chloro-3-methylphenoxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-6-ethyl-2-[[4-(trifluoromethyl)benzyl]thio]pyrimidine Formula: C21H18ClF3N2OS MolecularWeight: 438.89363

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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(=C(C=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClF3N2OS/c1-3-16-11-19(28-17-8-9-18(22)13(2)10-17)27-20(26-16)29-12-14-4-6-15(7-5-14)21(23,24)25/h4-11H,3,12H2,1-2H3