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

Systemtic Name: 6-[[5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-phenyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-[(4-methylphenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-[(4-methylbenzyl)thio]-4-phenyl-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:

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

InChI

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