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

Systemtic Name: 6-[[5-[(4-bromophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-[(4-bromophenyl)methylsulfanyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-[(4-bromophenyl)methylthio]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-[(4-bromophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-[(4-bromobenzyl)thio]-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]uracil Formula: C21H18BrN5O2S MolecularWeight: 484.36892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C21H18BrN5O2S/c1-13-3-2-4-17(9-13)27-18(10-16-11-19(28)24-20(29)23-16)25-26-21(27)30-12-14-5-7-15(22)8-6-14/h2-9,11H,10,12H2,1H3,(H2,23,24,28,29)