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

Systemtic Name: 6-[[5-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-[(4-bromophenyl)methylthio]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-[(4-bromobenzyl)thio]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]uracil Formula: C20H15BrClN5O2S MolecularWeight: 504.7874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4)Br

InChI

InChI=1S/C20H15BrClN5O2S/c21-13-3-1-12(2-4-13)11-30-20-26-25-17(9-15-10-18(28)24-19(29)23-15)27(20)16-7-5-14(22)6-8-16/h1-8,10H,9,11H2,(H2,23,24,28,29)