6-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]uracil Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)NC(=O)N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C23H23N5O2S/c1-23(2,3)16-11-9-15(10-12-16)20-26-27-22(28(20)18-7-5-4-6-8-18)31-14-17-13-19(29)25-21(30)24-17/h4-13H,14H2,1-3H3,(H2,24,25,29,30)