4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C19H20N5O2S2- MolecularWeight: 414.5244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)[O-])CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)[O-])CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C19H21N5O2S2/c1-4-24-16(11-27-18-20-12(2)9-13(3)21-18)22-23-19(24)28-10-14-5-7-15(8-6-14)17(25)26/h5-9H,4,10-11H2,1-3H3,(H,25,26)/p-1