2-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]ethanesulfonic acid

Systemtic Name: 2-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]ethanesulfonic acid Openeye Name: 2-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]ethanesulfonic acid CAS Name: 2-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-imidazolyl]ethanesulfonic acid IUPAC Name: 2-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]ethanesulfonic acid Traditional Name: 2-[1-[6-(4-amidinophenyl)pyridazin-3-yl]imidazol-4-yl]ethanesulfonic acid Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(C=C2)N3C=C(N=C3)CCS(=O)(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(C=C2)N3C=C(N=C3)CCS(=O)(=O)O)C(=N)N

InChI

InChI=1S/C16H16N6O3S/c17-16(18)12-3-1-11(2-4-12)14-5-6-15(21-20-14)22-9-13(19-10-22)7-8-26(23,24)25/h1-6,9-10H,7-8H2,(H3,17,18)(H,23,24,25)