5-[2-[4-[(3-butyl-5-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[2-[4-[(3-butyl-5-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[2-[4-[(3-butyl-5-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole CAS Name: 5-[2-[4-[(3-butyl-5-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole IUPAC Name: 5-[2-[4-[(3-butyl-5-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole Traditional Name: 5-[2-[4-[(3-butyl-5-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole Formula: C28H29N7 MolecularWeight: 463.57676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

Isomeric SMILES

CCCCC1=NN(C(=N1)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

InChI

InChI=1S/C28H29N7/c1-2-3-13-26-29-27(19-16-21-9-5-4-6-10-21)35(32-26)20-22-14-17-23(18-15-22)24-11-7-8-12-25(24)28-30-33-34-31-28/h4-12,14-15,17-18H,2-3,13,16,19-20H2,1H3,(H,30,31,33,34)