2-butyl-1-[2-methyl-4-phenyl-3-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]benzimidazole

Systemtic Name: 2-butyl-1-[2-methyl-4-phenyl-3-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]benzimidazole Openeye Name: 2-butyl-1-[2-methyl-4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]benzimidazole CAS Name: 2-butyl-1-[2-methyl-4-phenyl-3-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]benzimidazole IUPAC Name: 2-butyl-1-[2-methyl-4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]benzimidazole Traditional Name: 2-butyl-1-[2-methyl-4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]benzimidazole Formula: C44H38N6 MolecularWeight: 650.81272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C

InChI

InChI=1S/C44H38N6/c1-3-4-29-41-45-38-27-17-18-28-40(38)49(41)39-31-30-37(33-19-9-5-10-20-33)42(32(39)2)43-46-47-48-50(43)44(34-21-11-6-12-22-34,35-23-13-7-14-24-35)36-25-15-8-16-26-36/h5-28,30-31H,3-4,29H2,1-2H3