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

Systemtic Name: 6-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-[(2,5-dimethylphenyl)methylthio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-[(2,5-dimethylbenzyl)thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]uracil Formula: C22H20FN5O2S MolecularWeight: 437.489903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C22H20FN5O2S/c1-13-3-4-14(2)15(9-13)12-31-22-27-26-19(10-17-11-20(29)25-21(30)24-17)28(22)18-7-5-16(23)6-8-18/h3-9,11H,10,12H2,1-2H3,(H2,24,25,29,30)