7-[(1-oxidanidyl-5-thiophen-3-yl-pyridin-1-ium-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-[(1-oxidanidyl-5-thiophen-3-yl-pyridin-1-ium-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine Openeye Name: 7-[[1-oxido-5-(3-thienyl)pyridin-1-ium-2-yl]methoxy]pyrazolo[1,5-a]pyrimidine CAS Name: 7-[[1-oxido-5-(3-thiophenyl)-2-pyridin-1-iumyl]methoxy]pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[(1-oxido-5-thiophen-3-ylpyridin-1-ium-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine Traditional Name: 7-[[1-oxido-5-(3-thienyl)pyridin-1-ium-2-yl]methoxy]pyrazolo[1,5-a]pyrimidine Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=[N+](C=C1C2=CSC=C2)[O-])COC3=CC=NC4=CC=NN43

Isomeric SMILES

C1=CC(=[N+](C=C1C2=CSC=C2)[O-])COC3=CC=NC4=CC=NN43

InChI

InChI=1S/C16H12N4O2S/c21-19-9-12(13-5-8-23-11-13)1-2-14(19)10-22-16-4-6-17-15-3-7-18-20(15)16/h1-9,11H,10H2