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

Systemtic Name: 2-[3-(3-butyl-5-phenethyl-1,2,4-triazol-1-yl)-1-phenyl-1,2,3,4-tetrazol-2-yl]-3-methyl-pyridine Openeye Name: 2-[3-(3-butyl-5-phenethyl-1,2,4-triazol-1-yl)-1-phenyl-tetrazol-2-yl]-3-methyl-pyridine CAS Name: 2-[3-(3-butyl-5-phenethyl-1,2,4-triazol-1-yl)-1-phenyl-2-tetrazolyl]-3-methylpyridine IUPAC Name: 2-[3-(3-butyl-5-phenethyl-1,2,4-triazol-1-yl)-1-phenyltetrazol-2-yl]-3-methylpyridine Traditional Name: 2-[3-(3-butyl-5-phenethyl-1,2,4-triazol-1-yl)-1-phenyl-tetrazol-2-yl]-3-methyl-pyridine Formula: C27H30N8 MolecularWeight: 466.5807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CCC2=CC=CC=C2)N3N=CN(N3C4=C(C=CC=N4)C)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=NN(C(=N1)CCC2=CC=CC=C2)N3N=CN(N3C4=C(C=CC=N4)C)C5=CC=CC=C5

InChI

InChI=1S/C27H30N8/c1-3-4-17-25-30-26(19-18-23-13-7-5-8-14-23)33(31-25)35-29-21-32(24-15-9-6-10-16-24)34(35)27-22(2)12-11-20-28-27/h5-16,20-21H,3-4,17-19H2,1-2H3