2-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanoic acid

Systemtic Name: 2-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanoic acid Openeye Name: 2-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetic acid CAS Name: 2-[(5-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetic acid Traditional Name: 2-[(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]acetic acid Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c1-10-7-13(21-9-14(19)20)18-15(17-10)12(8-16-18)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20)