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

Systemtic Name: 6-[[5-[(4-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-[(4-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-[(4-bromophenyl)methylthio]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-[(4-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-[(4-bromobenzyl)thio]-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]uracil Formula: C22H20BrN5O3S MolecularWeight: 514.3949

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C22H20BrN5O3S/c1-2-31-18-9-7-17(8-10-18)28-19(11-16-12-20(29)25-21(30)24-16)26-27-22(28)32-13-14-3-5-15(23)6-4-14/h3-10,12H,2,11,13H2,1H3,(H2,24,25,29,30)