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

Systemtic Name: 4-(4-nitrophenoxy)-6-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Openeye Name: 4-isopropyl-6-(4-nitrophenoxy)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine CAS Name: 4-(4-nitrophenoxy)-6-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylthio]pyrimidine IUPAC Name: 4-(4-nitrophenoxy)-6-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Traditional Name: 4-isopropyl-6-(4-nitrophenoxy)-2-[[3-(trifluoromethyl)benzyl]thio]pyrimidine Formula: C21H18F3N3O3S MolecularWeight: 449.44613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC(=CC=C2)C(F)(F)F)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC(=CC=C2)C(F)(F)F)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18F3N3O3S/c1-13(2)18-11-19(30-17-8-6-16(7-9-17)27(28)29)26-20(25-18)31-12-14-4-3-5-15(10-14)21(22,23)24/h3-11,13H,12H2,1-2H3