(5-oxidanidyl-8-phenylmethoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-yl)-thiophen-2-yl-methanone

Systemtic Name: (5-oxidanidyl-8-phenylmethoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-yl)-thiophen-2-yl-methanone Openeye Name: (8-benzyloxy-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-yl)-(2-thienyl)methanone CAS Name: (5-oxido-8-phenylmethoxy-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumyl)-thiophen-2-ylmethanone IUPAC Name: (5-oxido-8-phenylmethoxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-yl)-thiophen-2-ylmethanone Traditional Name: (8-benzoxy-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-yl)-(2-thienyl)methanone Formula: C21H14N4O3S MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)C(=O)C5=CC=CS5)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)C(=O)C5=CC=CS5)[O-]

InChI

InChI=1S/C21H14N4O3S/c26-20(19-7-4-10-29-19)16-12-22-24-18-11-15(28-13-14-5-2-1-3-6-14)8-9-17(18)25(27)23-21(16)24/h1-12H,13H2