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

Systemtic Name: 4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzoate Formula: C17H15N4O3S2- MolecularWeight: 387.456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C17H16N4O3S2/c1-10-7-11(2)19-16(18-10)25-9-14-20-21-17(24-14)26-8-12-3-5-13(6-4-12)15(22)23/h3-7H,8-9H2,1-2H3,(H,22,23)/p-1