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

Systemtic Name: 6-[[4-phenyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-phenyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-phenyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-phenyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-phenyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]uracil Formula: C21H19N5O2S MolecularWeight: 405.47286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C21H19N5O2S/c1-14(15-8-4-2-5-9-15)29-21-25-24-18(26(21)17-10-6-3-7-11-17)12-16-13-19(27)23-20(28)22-16/h2-11,13-14H,12H2,1H3,(H2,22,23,27,28)