2,7-diethyl-6-methyl-5-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole

Systemtic Name: 2,7-diethyl-6-methyl-5-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole Openeye Name: 2,7-diethyl-6-methyl-5-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole CAS Name: 2,7-diethyl-6-methyl-5-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole IUPAC Name: 2,7-diethyl-6-methyl-5-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole Traditional Name: 2,7-diethyl-6-methyl-5-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]pyrazolo[1,5-b][1,2,4]triazole Formula: C42H38N8 MolecularWeight: 654.80472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N2C1=NC(=N2)CC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C

Isomeric SMILES

CCC1=C(N(N2C1=NC(=N2)CC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C

InChI

InChI=1S/C42H38N8/c1-4-36-30(3)48(50-40(36)43-39(5-2)45-50)29-31-25-27-32(28-26-31)37-23-15-16-24-38(37)41-44-46-47-49(41)42(33-17-9-6-10-18-33,34-19-11-7-12-20-34)35-21-13-8-14-22-35/h6-28H,4-5,29H2,1-3H3