4-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[[4-(1-pyrazolyl)phenyl]methyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(4-pyrazol-1-ylbenzyl)piperazin-4-ium-1-yl]sulfonylpiazthiole Formula: C20H21N6O2S2+ MolecularWeight: 441.54974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H20N6O2S2/c27-30(28,19-4-1-3-18-20(19)23-29-22-18)25-13-11-24(12-14-25)15-16-5-7-17(8-6-16)26-10-2-9-21-26/h1-10H,11-15H2/p+1