5-tert-butyl-3-phenyl-pyrazolo[1,5-a]pyrimidine-7-thiolate

Systemtic Name: 5-tert-butyl-3-phenyl-pyrazolo[1,5-a]pyrimidine-7-thiolate Openeye Name: 5-tert-butyl-3-phenyl-pyrazolo[1,5-a]pyrimidine-7-thiolate CAS Name: 5-tert-butyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinethiolate IUPAC Name: 5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-thiolate Traditional Name: 5-tert-butyl-3-phenyl-pyrazolo[1,5-a]pyrimidine-7-thiolate Formula: C16H16N3S- MolecularWeight: 282.38334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=NN2C(=C1)[S-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=NN2C(=C1)[S-])C3=CC=CC=C3

InChI

InChI=1S/C16H17N3S/c1-16(2,3)13-9-14(20)19-15(18-13)12(10-17-19)11-7-5-4-6-8-11/h4-10,20H,1-3H3/p-1