[4-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylamino]phenyl]sulfonyl-(6-chloranylpyridazin-3-yl)azanide

Systemtic Name: [4-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylamino]phenyl]sulfonyl-(6-chloranylpyridazin-3-yl)azanide Openeye Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]phenyl]sulfonyl-(6-chloropyridazin-3-yl)azanide CAS Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]amino]phenyl]sulfonyl-(6-chloro-3-pyridazinyl)azanide IUPAC Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]phenyl]sulfonyl-(6-chloropyridazin-3-yl)azanide Traditional Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]amino]phenyl]sulfonyl-(6-chloropyridazin-3-yl)azanide Formula: C19H15ClN6O3S2 MolecularWeight: 474.9438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NN=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NN=C(C=C4)Cl

InChI

InChI=1S/C19H15ClN6O3S2/c20-16-9-10-17(25-24-16)26-31(28,29)13-7-5-12(6-8-13)21-18(27)11-30-19-22-14-3-1-2-4-15(14)23-19/h1-10H,11H2,(H3,21,22,23,25,26,27)