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

Systemtic Name: 6-[[4-(2,5-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(2,5-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(2,5-dimethylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(2,5-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(2,5-dimethylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]uracil Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O3S/c1-14-8-9-15(2)18(10-14)28-20(11-17-12-21(30)25-22(31)24-17)26-27-23(28)32-13-19(29)16-6-4-3-5-7-16/h3-10,12H,11,13H2,1-2H3,(H2,24,25,30,31)