6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylsulfanylpyrimidin-4-olate Traditional Name: 6-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-(methylthio)pyrimidin-4-olate Formula: C22H20N5OS2- MolecularWeight: 434.5571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC(=NC(=N3)SC)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC(=NC(=N3)SC)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5OS2/c1-14-9-10-18(11-15(14)2)27-20(16-7-5-4-6-8-16)25-26-22(27)30-13-17-12-19(28)24-21(23-17)29-3/h4-12H,13H2,1-3H3,(H,23,24,28)/p-1