6-[6-[3-(4-methylsulfonylphenyl)-1-(triphenylmethyl)pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[6-[3-(4-methylsulfonylphenyl)-1-(triphenylmethyl)pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[6-[3-(4-methylsulfonylphenyl)-1-trityl-pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carbonitrile CAS Name: 6-[6-[3-(4-methylsulfonylphenyl)-1-(triphenylmethyl)-4-pyrazolyl]-1-benzimidazolyl]-3-pyridinecarbonitrile IUPAC Name: 6-[6-[3-(4-methylsulfonylphenyl)-1-tritylpyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[6-[3-(4-mesylphenyl)-1-trityl-pyrazol-4-yl]benzimidazol-1-yl]nicotinonitrile Formula: C42H30N6O2S MolecularWeight: 682.7916

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C=C2C3=CC4=C(C=C3)N=CN4C5=NC=C(C=C5)C#N)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C=C2C3=CC4=C(C=C3)N=CN4C5=NC=C(C=C5)C#N)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C42H30N6O2S/c1-51(49,50)36-21-18-31(19-22-36)41-37(32-20-23-38-39(25-32)47(29-45-38)40-24-17-30(26-43)27-44-40)28-48(46-41)42(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35/h2-25,27-29H,1H3