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

Systemtic Name: 6-[[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(m-tolyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(3-methylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(m-tolyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]uracil Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C22H19N5O3S/c1-14-6-5-9-17(10-14)27-19(11-16-12-20(29)24-21(30)23-16)25-26-22(27)31-13-18(28)15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3,(H2,23,24,29,30)