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

Systemtic Name: 5-tert-butyl-2-methyl-7-pentylsulfanyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-2-methyl-7-pentylsulfanyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-2-methyl-7-(pentylthio)-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-2-methyl-7-pentylsulfanyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(amylthio)-5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C22H29N3S MolecularWeight: 367.55076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCCCCSC1=CC(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C22H29N3S/c1-6-7-11-14-26-19-15-18(22(3,4)5)23-21-20(16(2)24-25(19)21)17-12-9-8-10-13-17/h8-10,12-13,15H,6-7,11,14H2,1-5H3