5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-pentyl-pyrrol-2-yl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-pentyl-pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-pentyl-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-pentyl-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-pentylpyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[3-amyl-1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole Formula: C27H38N8 MolecularWeight: 474.64422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C=C1)C2=CC=C(C=C2)CN3C(=NC(=N3)CCCC)CCCC)C4=NNN=N4

Isomeric SMILES

CCCCCC1=C(N(C=C1)C2=CC=C(C=C2)CN3C(=NC(=N3)CCCC)CCCC)C4=NNN=N4

InChI

InChI=1S/C27H38N8/c1-4-7-10-11-22-18-19-34(26(22)27-29-32-33-30-27)23-16-14-21(15-17-23)20-35-25(13-9-6-3)28-24(31-35)12-8-5-2/h14-19H,4-13,20H2,1-3H3,(H,29,30,32,33)