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

Systemtic Name: 6-[[4-(3-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(3-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(3-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(3-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(3-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=CC(=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

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

InChI

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