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

Systemtic Name: 5-[1-[4-[[3,5-bis(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-methyl-pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[1-[4-[(3,5-diisobutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-methyl-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[[3,5-bis(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-methyl-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[[3,5-bis(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-methylpyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[(3,5-diisobutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-methyl-pyrrol-2-yl]-2H-tetrazole Formula: C23H30N8 MolecularWeight: 418.5379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C=C1)C2=CC=C(C=C2)CN3C(=NC(=N3)CC(C)C)CC(C)C)C4=NNN=N4

Isomeric SMILES

CC1=C(N(C=C1)C2=CC=C(C=C2)CN3C(=NC(=N3)CC(C)C)CC(C)C)C4=NNN=N4

InChI

InChI=1S/C23H30N8/c1-15(2)12-20-24-21(13-16(3)4)31(27-20)14-18-6-8-19(9-7-18)30-11-10-17(5)22(30)23-25-28-29-26-23/h6-11,15-16H,12-14H2,1-5H3,(H,25,26,28,29)