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

Systemtic Name: 2-[3-butyl-5-oxidanylidene-4-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[3-butyl-5-oxo-4-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[3-butyl-5-oxo-4-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[3-butyl-5-oxo-4-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[3-butyl-5-keto-4-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-1-yl]acetonitrile Formula: C41H36N8O MolecularWeight: 656.77754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)CC#N

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)CC#N

InChI

InChI=1S/C41H36N8O/c1-2-3-23-38-44-48(29-28-42)40(50)47(38)30-31-24-26-32(27-25-31)36-21-13-14-22-37(36)39-43-45-46-49(39)41(33-15-7-4-8-16-33,34-17-9-5-10-18-34)35-19-11-6-12-20-35/h4-22,24-27H,2-3,23,29-30H2,1H3