thiophen-2-ylmethyl 5-oxidanidyl-8-phenoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate

Systemtic Name: thiophen-2-ylmethyl 5-oxidanidyl-8-phenoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: 2-thienylmethyl 5-oxido-8-phenoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 5-oxido-8-phenoxy-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 5-oxido-8-phenoxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 5-oxido-8-phenoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid 2-thenyl ester Formula: C21H14N4O4S MolecularWeight: 418.42526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)C(=O)OCC5=CC=CS5)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)C(=O)OCC5=CC=CS5)[O-]

InChI

InChI=1S/C21H14N4O4S/c26-21(28-13-16-7-4-10-30-16)17-12-22-24-19-11-15(29-14-5-2-1-3-6-14)8-9-18(19)25(27)23-20(17)24/h1-12H,13H2