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

Systemtic Name: 3-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylpentane-2,4-dione Openeye Name: 3-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylpentane-2,4-dione CAS Name: 3-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-pyrazolo[1,5-a]pyrimidinyl]thio]pentane-2,4-dione IUPAC Name: 3-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylpentane-2,4-dione Traditional Name: 3-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]thio]pentane-2,4-dione Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SC(C(=O)C)C(=O)C

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SC(C(=O)C)C(=O)C

InChI

InChI=1S/C22H24ClN3O2S/c1-12-19(15-7-9-16(23)10-8-15)21-24-17(22(4,5)6)11-18(26(21)25-12)29-20(13(2)27)14(3)28/h7-11,20H,1-6H3