6-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(4-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(4-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]uracil Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C22H19N5O4S/c1-31-17-9-7-16(8-10-17)27-19(11-15-12-20(29)24-21(30)23-15)25-26-22(27)32-13-18(28)14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3,(H2,23,24,29,30)