2-[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanoate

Systemtic Name: 2-[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanoate Openeye Name: 2-(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[[2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinyl]thio]acetate IUPAC Name: 2-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]acetate Formula: C23H20N3O2S- MolecularWeight: 402.4888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC(=O)[O-])C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC(=O)[O-])C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-15-19(13-17-9-5-3-6-10-17)23(29-14-20(27)28)26-22(24-15)21(16(2)25-26)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,27,28)/p-1