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

Systemtic Name: 6-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]uracil Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C21H17N5O3S/c27-17(14-7-3-1-4-8-14)13-30-21-25-24-18(26(21)16-9-5-2-6-10-16)11-15-12-19(28)23-20(29)22-15/h1-10,12H,11,13H2,(H2,22,23,28,29)