2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C17H16N5O2S2- MolecularWeight: 386.47124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-])C

InChI

InChI=1S/C17H17N5O2S2/c1-11-8-12(2)19-16(18-11)25-9-14-20-21-17(26-10-15(23)24)22(14)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,23,24)/p-1