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

Systemtic Name: 6-[[4-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(4-fluorophenyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(4-fluorophenyl)-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(4-fluorophenyl)-5-[(4-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]uracil Formula: C21H18FN5O2S MolecularWeight: 423.463323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN5O2S/c1-13-2-4-14(5-3-13)12-30-21-26-25-18(10-16-11-19(28)24-20(29)23-16)27(21)17-8-6-15(22)7-9-17/h2-9,11H,10,12H2,1H3,(H2,23,24,28,29)