[5-(benzimidazol-2-ylidene)-1,2-dihydropyrazol-3-yl] 2,3-bis(chloranyl)benzenesulfonate

Systemtic Name: [5-(benzimidazol-2-ylidene)-1,2-dihydropyrazol-3-yl] 2,3-bis(chloranyl)benzenesulfonate Openeye Name: [5-(benzimidazol-2-ylidene)-1,2-dihydropyrazol-3-yl] 2,3-dichlorobenzenesulfonate CAS Name: 2,3-dichlorobenzenesulfonic acid [5-(2-benzimidazolylidene)-1,2-dihydropyrazol-3-yl] ester IUPAC Name: [5-(benzimidazol-2-ylidene)-1,2-dihydropyrazol-3-yl] 2,3-dichlorobenzenesulfonate Traditional Name: 2,3-dichlorobenzenesulfonic acid [5-(benzimidazol-2-ylidene)-3-pyrazolin-3-yl] ester Formula: C16H10Cl2N4O3S MolecularWeight: 409.2466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=C3C=C(NN3)OS(=O)(=O)C4=C(C(=CC=C4)Cl)Cl)N=C2C=C1

Isomeric SMILES

C1=CC2=NC(=C3C=C(NN3)OS(=O)(=O)C4=C(C(=CC=C4)Cl)Cl)N=C2C=C1

InChI

InChI=1S/C16H10Cl2N4O3S/c17-9-4-3-7-13(15(9)18)26(23,24)25-14-8-12(21-22-14)16-19-10-5-1-2-6-11(10)20-16/h1-8,21-22H