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

Systemtic Name: 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-thiophen-2-yl-ethanone Openeye Name: 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-(2-thienyl)ethanone CAS Name: 2-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-pyrazolo[1,5-a]pyrimidinyl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-thiophen-2-ylethanone Traditional Name: 2-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]thio]-1-(2-thienyl)ethanone Formula: C23H22ClN3OS2 MolecularWeight: 456.02328

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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=CS4

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC(=O)C4=CC=CS4

InChI

InChI=1S/C23H22ClN3OS2/c1-14-21(15-7-9-16(24)10-8-15)22-25-19(23(2,3)4)12-20(27(22)26-14)30-13-17(28)18-6-5-11-29-18/h5-12H,13H2,1-4H3