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

Systemtic Name: 5-tert-butyl-2-methyl-7-(naphthalen-1-ylmethylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-2-methyl-7-(1-naphthylmethylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-2-methyl-7-(1-naphthalenylmethylthio)-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-2-methyl-7-(naphthalen-1-ylmethylsulfanyl)-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-2-methyl-7-(1-naphthylmethylthio)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C28H27N3S MolecularWeight: 437.59908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3S/c1-19-26(21-12-6-5-7-13-21)27-29-24(28(2,3)4)17-25(31(27)30-19)32-18-22-15-10-14-20-11-8-9-16-23(20)22/h5-17H,18H2,1-4H3