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

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 7-benzylsulfanyl-5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(phenylmethylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-benzylsulfanyl-5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(benzylthio)-5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine Formula: C24H24ClN3S MolecularWeight: 421.98546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC4=CC=CC=C4

InChI

InChI=1S/C24H24ClN3S/c1-16-22(18-10-12-19(25)13-11-18)23-26-20(24(2,3)4)14-21(28(23)27-16)29-15-17-8-6-5-7-9-17/h5-14H,15H2,1-4H3