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

Systemtic Name: (5-oxidanidyl-8-phenoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-yl)-thiophen-2-yl-methanone Openeye Name: (5-oxido-8-phenoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-yl)-(2-thienyl)methanone CAS Name: (5-oxido-8-phenoxy-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumyl)-thiophen-2-ylmethanone IUPAC Name: (5-oxido-8-phenoxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-yl)-thiophen-2-ylmethanone Traditional Name: (5-oxido-8-phenoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-yl)-(2-thienyl)methanone Formula: C20H12N4O3S MolecularWeight: 388.39928

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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)C5=CC=CS5)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)C(=O)C5=CC=CS5)[O-]

InChI

InChI=1S/C20H12N4O3S/c25-19(18-7-4-10-28-18)15-12-21-23-17-11-14(27-13-5-2-1-3-6-13)8-9-16(17)24(26)22-20(15)23/h1-12H