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

Systemtic Name: 7-butan-2-ylsulfanyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 2,5-dimethyl-3-phenyl-7-sec-butylsulfanyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-(butan-2-ylthio)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-butan-2-ylsulfanyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 2,5-dimethyl-3-phenyl-7-(sec-butylthio)pyrazolo[1,5-a]pyrimidine Formula: C18H21N3S MolecularWeight: 311.44444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3S/c1-5-13(3)22-16-11-12(2)19-18-17(14(4)20-21(16)18)15-9-7-6-8-10-15/h6-11,13H,5H2,1-4H3