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

Systemtic Name: 6-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(4-fluorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(4-fluorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]uracil Formula: C14H12FN5O2S MolecularWeight: 333.340783

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=C(C=C2)F)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

CSC1=NN=C(N1C2=CC=C(C=C2)F)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C14H12FN5O2S/c1-23-14-19-18-11(6-9-7-12(21)17-13(22)16-9)20(14)10-4-2-8(15)3-5-10/h2-5,7H,6H2,1H3,(H2,16,17,21,22)