2-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanoate

Systemtic Name: 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanoate Openeye Name: 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate CAS Name: 2-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-pyrazolo[1,5-a]pyrimidinyl]thio]acetate IUPAC Name: 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate Traditional Name: 2-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]thio]acetate Formula: C19H19ClN3O2S- MolecularWeight: 388.89106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC(=O)[O-]

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC(=O)[O-]

InChI

InChI=1S/C19H20ClN3O2S/c1-11-17(12-5-7-13(20)8-6-12)18-21-14(19(2,3)4)9-15(23(18)22-11)26-10-16(24)25/h5-9H,10H2,1-4H3,(H,24,25)/p-1