6-[6-[3-(4-methylsulfinylphenyl)-1-(triphenylmethyl)pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carboxamide

Systemtic Name: 6-[6-[3-(4-methylsulfinylphenyl)-1-(triphenylmethyl)pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carboxamide Openeye Name: 6-[6-[3-(4-methylsulfinylphenyl)-1-trityl-pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carboxamide CAS Name: 6-[6-[3-(4-methylsulfinylphenyl)-1-(triphenylmethyl)-4-pyrazolyl]-1-benzimidazolyl]-3-pyridinecarboxamide IUPAC Name: 6-[6-[3-(4-methylsulfinylphenyl)-1-tritylpyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carboxamide Traditional Name: 6-[6-[3-(4-methylsulfinylphenyl)-1-trityl-pyrazol-4-yl]benzimidazol-1-yl]nicotinamide Formula: C42H32N6O2S MolecularWeight: 684.80748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H32N6O2S/c1-51(50)35-21-17-29(18-22-35)40-36(30-19-23-37-38(25-30)47(28-45-37)39-24-20-31(26-44-39)41(43)49)27-48(46-40)42(32-11-5-2-6-12-32,33-13-7-3-8-14-33)34-15-9-4-10-16-34/h2-28H,1H3,(H2,43,49)