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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C(C)(C)C

Isomeric SMILES

CCC(C)SC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C(C)(C)C

InChI

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