2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine-7-thiolate

Systemtic Name: 2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine-7-thiolate Openeye Name: 2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine-7-thiolate CAS Name: 2-methyl-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinethiolate IUPAC Name: 2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine-7-thiolate Traditional Name: 2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine-7-thiolate Formula: C16H16N3S- MolecularWeight: 282.38334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C(=C1)[S-])C)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C(=C1)[S-])C)C3=CC=CC=C3

InChI

InChI=1S/C16H17N3S/c1-3-7-13-10-14(20)19-16(17-13)15(11(2)18-19)12-8-5-4-6-9-12/h4-6,8-10,20H,3,7H2,1-2H3/p-1