2-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-(4-methylphenyl)ethanone

Systemtic Name: 2-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-(4-methylphenyl)ethanone Openeye Name: 2-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-(p-tolyl)ethanone CAS Name: 2-[(5-tert-butyl-2-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-(4-methylphenyl)ethanone Traditional Name: 2-[(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-1-(p-tolyl)ethanone Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C26H27N3OS/c1-17-11-13-19(14-12-17)21(30)16-31-23-15-22(26(3,4)5)27-25-24(18(2)28-29(23)25)20-9-7-6-8-10-20/h6-15H,16H2,1-5H3