5-tert-butyl-7-butylsulfanyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-7-butylsulfanyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-7-butylsulfanyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-7-(butylthio)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-7-butylsulfanyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-7-(butylthio)-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3S/c1-6-7-13-25-18-14-17(21(3,4)5)22-20-19(15(2)23-24(18)20)16-11-9-8-10-12-16/h8-12,14H,6-7,13H2,1-5H3