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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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