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

Systemtic Name: 6-[[4-(4-fluorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(4-fluorophenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(4-fluorophenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(4-fluorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(4-fluorophenyl)-5-(isopropylthio)-1,2,4-triazol-3-yl]methyl]uracil Formula: C16H16FN5O2S MolecularWeight: 361.393943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C2=CC=C(C=C2)F)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

CC(C)SC1=NN=C(N1C2=CC=C(C=C2)F)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C16H16FN5O2S/c1-9(2)25-16-21-20-13(7-11-8-14(23)19-15(24)18-11)22(16)12-5-3-10(17)4-6-12/h3-6,8-9H,7H2,1-2H3,(H2,18,19,23,24)