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

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(naphthalen-1-ylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(1-naphthylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(1-naphthalenylmethylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(naphthalen-1-ylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(1-naphthylmethylthio)pyrazolo[1,5-a]pyrimidine Formula: C28H26ClN3S MolecularWeight: 472.04414

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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=CC5=CC=CC=C54

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H26ClN3S/c1-18-26(20-12-14-22(29)15-13-20)27-30-24(28(2,3)4)16-25(32(27)31-18)33-17-21-10-7-9-19-8-5-6-11-23(19)21/h5-16H,17H2,1-4H3