6-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C24H25N5OS2 MolecularWeight: 463.6182

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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)N=C(N4)SC

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5OS2/c1-24(2,3)17-12-10-16(11-13-17)21-27-28-23(29(21)19-8-6-5-7-9-19)32-15-18-14-20(30)26-22(25-18)31-4/h5-14H,15H2,1-4H3,(H,25,26,30)