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

Systemtic Name: 3-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propionate Formula: C13H16N5O2S2- MolecularWeight: 338.42844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2C)SCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2C)SCCC(=O)[O-])C

InChI

InChI=1S/C13H17N5O2S2/c1-8-6-9(2)15-12(14-8)22-7-10-16-17-13(18(10)3)21-5-4-11(19)20/h6H,4-5,7H2,1-3H3,(H,19,20)/p-1