5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-pentylsulfanyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-pentylsulfanyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-pentylsulfanyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(pentylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-pentylsulfanylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(amylthio)-5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine Formula: C22H28ClN3S MolecularWeight: 401.99582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C(C)(C)C

Isomeric SMILES

CCCCCSC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C(C)(C)C

InChI

InChI=1S/C22H28ClN3S/c1-6-7-8-13-27-19-14-18(22(3,4)5)24-21-20(15(2)25-26(19)21)16-9-11-17(23)12-10-16/h9-12,14H,6-8,13H2,1-5H3