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

Systemtic Name: 5-tert-butyl-7-butylsulfanyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-7-butylsulfanyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-7-(butylthio)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-7-butylsulfanyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-7-(butylthio)-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine Formula: C21H26ClN3S MolecularWeight: 387.96924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C(C)(C)C

Isomeric SMILES

CCCCSC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C(C)(C)C

InChI

InChI=1S/C21H26ClN3S/c1-6-7-12-26-18-13-17(21(3,4)5)23-20-19(14(2)24-25(18)20)15-8-10-16(22)11-9-15/h8-11,13H,6-7,12H2,1-5H3