6-[6-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carbonitrile trihydrochloride

Systemtic Name: 6-[6-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carbonitrile trihydrochloride Openeye Name: 6-[6-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carbonitrile trihydrochloride CAS Name: 6-[6-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]-1-benzimidazolyl]-3-pyridinecarbonitrile trihydrochloride IUPAC Name: 6-[6-[5-(4-methylsulfonylphenyl)-1H-pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carbonitrile trihydrochloride Traditional Name: 6-[6-[5-(4-mesylphenyl)-1H-pyrazol-4-yl]benzimidazol-1-yl]nicotinonitrile trihydrochloride Formula: C23H19Cl3N6O2S MolecularWeight: 549.85996

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=NN2)C3=CC4=C(C=C3)N=CN4C5=NC=C(C=C5)C#N.Cl.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=NN2)C3=CC4=C(C=C3)N=CN4C5=NC=C(C=C5)C#N.Cl.Cl.Cl

InChI

InChI=1S/C23H16N6O2S.3ClH/c1-32(30,31)18-6-3-16(4-7-18)23-19(13-27-28-23)17-5-8-20-21(10-17)29(14-26-20)22-9-2-15(11-24)12-25-22;;;/h2-10,12-14H,1H3,(H,27,28);3*1H