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

Systemtic Name: 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-pyrazolo[1,5-a]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]thio]-1-phenyl-ethanone Formula: C25H24ClN3OS MolecularWeight: 449.99556

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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)C4=CC=CC=C4

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24ClN3OS/c1-16-23(18-10-12-19(26)13-11-18)24-27-21(25(2,3)4)14-22(29(24)28-16)31-15-20(30)17-8-6-5-7-9-17/h5-14H,15H2,1-4H3