7-butan-2-ylsulfanyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-butan-2-ylsulfanyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-methyl-3-phenyl-7-sec-butylsulfanyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-(butan-2-ylthio)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-butan-2-ylsulfanyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-3-phenyl-7-(sec-butylthio)pyrazolo[1,5-a]pyrimidine Formula: C17H19N3S MolecularWeight: 297.41786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=CC(=NC2=C(C=NN12)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C)SC1=CC(=NC2=C(C=NN12)C3=CC=CC=C3)C

InChI

InChI=1S/C17H19N3S/c1-4-13(3)21-16-10-12(2)19-17-15(11-18-20(16)17)14-8-6-5-7-9-14/h5-11,13H,4H2,1-3H3