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

Systemtic Name: 2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanoate Openeye Name: 2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetate IUPAC Name: 2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]acetate Formula: C16H14N3O2S- MolecularWeight: 312.36626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SCC(=O)[O-])C)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SCC(=O)[O-])C)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S/c1-10-8-13(22-9-14(20)21)19-16(17-10)15(11(2)18-19)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,20,21)/p-1