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

Systemtic Name: 6-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]uracil Formula: C23H22BrN5O2S MolecularWeight: 512.42208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN5O2S/c1-23(2,3)15-6-4-14(5-7-15)20-27-28-22(29(20)18-10-8-16(24)9-11-18)32-13-17-12-19(30)26-21(31)25-17/h4-12H,13H2,1-3H3,(H2,25,26,30,31)