6-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-phenyl-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazol-3-yl]methyl]uracil Formula: C21H16F3N5O2S MolecularWeight: 459.44425

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)C(F)(F)F)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)C(F)(F)F)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C21H16F3N5O2S/c22-21(23,24)14-6-4-5-13(9-14)12-32-20-28-27-17(29(20)16-7-2-1-3-8-16)10-15-11-18(30)26-19(31)25-15/h1-9,11H,10,12H2,(H2,25,26,30,31)