5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C16H16N5S2- MolecularWeight: 342.46174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2[S-])CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2[S-])CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C16H17N5S2/c1-10-4-6-13(7-5-10)21-14(19-20-16(21)22)9-23-15-17-11(2)8-12(3)18-15/h4-8H,9H2,1-3H3,(H,20,22)/p-1