2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2-[3-(2,5-dimethylpyrrol-1-yl)-2-thienyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 2-[3-(2,5-dimethyl-1-pyrrolyl)-2-thiophenyl]-5-phenyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-[3-(2,5-dimethylpyrrol-1-yl)-2-thienyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C22H17N4OS- MolecularWeight: 385.46158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(SC=C2)C3=NN4C(=C3)N=C(C=C4[O-])C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(N1C2=C(SC=C2)C3=NN4C(=C3)N=C(C=C4[O-])C5=CC=CC=C5)C

InChI

InChI=1S/C22H18N4OS/c1-14-8-9-15(2)25(14)19-10-11-28-22(19)18-12-20-23-17(13-21(27)26(20)24-18)16-6-4-3-5-7-16/h3-13,27H,1-2H3/p-1