3-iodanyl-5-oxidanidyl-8-(thiophen-2-ylmethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium

Systemtic Name: 3-iodanyl-5-oxidanidyl-8-(thiophen-2-ylmethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-5-oxido-8-(2-thienylmethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-5-oxido-8-(thiophen-2-ylmethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-5-oxido-8-(thiophen-2-ylmethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-iodo-5-oxido-8-(2-thenyloxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C14H9IN4O2S MolecularWeight: 424.21633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)COC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

Isomeric SMILES

C1=CSC(=C1)COC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

InChI

InChI=1S/C14H9IN4O2S/c15-11-7-16-18-13-6-9(21-8-10-2-1-5-22-10)3-4-12(13)19(20)17-14(11)18/h1-7H,8H2